SCHEMBL3018809

SCHEMBL3018809

CN(C)N=Nc1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 6/20 0.46
▸ CYP1A2 P05177 3/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ ABCB11 O95342 1/20 0.46
▸ NR3C1 P04150 1/20 0.46
▸ ADRA2A P08913 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ ADRA2C P18825 1/20 0.46
▸ MAOA P21397 1/20 0.46
▸ DRD1 P21728 1/20 0.46
▸ SLC6A4 P31645 1/20 0.46
▸ HTR2B P41595 1/20 0.46
▸ CCR2 P41597 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ CCNE2 O96020 1/20 0.41
▸ CCNE1 P24864 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2475118 0.80 LMNA (0.38) SIGMAR1ALDH1A1HSD17B10TDP1
SCHEMBL2291745 0.80 CYP1A2 (0.58) SIGMAR1CYP1A2CYP3A4ALDH1A1ABCB11
SCHEMBL7650795 0.80 CYP1A2 (0.58) SIGMAR1CYP1A2CYP3A4ALDH1A1ABCB11
SCHEMBL2475120 0.80 LMNA (0.38) SIGMAR1ALDH1A1HSD17B10TDP1
Benzene SCHEMBL11235066 0.78 CYP1A2 (0.56) SIGMAR1CYP1A2CYP3A4ALDH1A1ABCB11
Benzene SCHEMBL7716364 0.78 CYP1A2 (0.56) SIGMAR1CYP1A2CYP3A4ALDH1A1ABCB11
Naphthalene SCHEMBL6560501 0.78 CYP1A2 (0.56) SIGMAR1CYP1A2CYP3A4ALDH1A1ABCB11
SCHEMBL30854927 0.78 CYP1A2 (0.56) SIGMAR1CYP1A2CYP3A4ALDH1A1ABCB11
SCHEMBL28496032 0.78 CYP1A2 (0.56) SIGMAR1CYP1A2CYP3A4ALDH1A1ABCB11
SCHEMBL12870014 0.77 ALDH1A1 (0.50) SIGMAR1CYP1A2CYP3A4ALDH1A1ABCB11

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12041936-B2 Antiviral agent, coating composition, resin composition and antiviral product TOAGOSEI CO., LTD. (JP) 2024-07-23 — — US disclosed
CN-113647408-B Antiviral agent, coating composition, resin composition, and antiviral product 东亚合成株式会社 2024-05-28 — — CN disclosed
CN-113647408-A Antiviral agent, coating composition, resin composition, and antiviral product 东亚合成株式会社 2021-11-16 — — CN disclosed
US-20210235702-A1 ANTIVIRAL AGENT, COATING COMPOSITION, RESIN COMPOSITION AND ANTIVIRAL PRODUCT TOAGOSEI CO., LTD. (JP) 2021-08-05 — — US disclosed
US-20210009911-A1 PROCESSING BIOMASS XYLECO INC (US) 2021-01-14 — — US disclosed
US-10597595-B2 Processing biomass XYLECO, INC. (US) 2020-03-24 — — US disclosed
US-20190233751-A1 PROCESSING BIOMASS XYLECO, INC. 2019-08-01 — — US disclosed
US-20190045793-A1 ANTIVIRAL AGENT, COATING COMPOSITION, RESIN COMPOSITION AND ANTIVIRAL PRODUCT TOAGOSEI CO., LTD. (JP) 2019-02-14 — — US disclosed
EP-3424326-A1 ANTIVIRAL AGENT, COATING COMPOSITION, RESIN COMPOSITION AND ANTIVIRAL PRODUCT Toagosei Co., Ltd. (JP) 2019-01-09 — — EP disclosed
CN-103261357-B Antiallergic agent TOAGOSEI CO LTD 2014-12-31 — — CN disclosed
CN-103261357-A Antiallergic agent TOAGOSEI CO LTD 2013-08-21 — — CN disclosed
US-20100209530-A1 ANTI-ALLERGEN AGENT TOAGOSEI CO., LTD. (JP) 2010-08-19 — — US disclosed
EP-0396459-B2 Silica for dentifrice compositions which is compatible with organic amino-compounds RHONE POULENC CHIMIE (FR) 1997-08-27 — — EP disclosed
EP-0315503-B2 Silica for dentifrice compositions, compatible more particularly with chlorhexidine RHONE POULENC CHIMIE (FR) 1995-11-08 — — EP disclosed
CN-1020671-C TOOTHPASTE COMPONENT CONTAINING SILICA COMPATIBLE WITH CHLORHEXIDINE RHONE POULENC CHIMIE (FR) 1993-05-19 — — CN disclosed
CN-1014317-B Silica compatible with chlorhexidine for use in dentifrice components RHONE POULENC SPECIALITES 1991-10-16 — — CN disclosed
CN-1054366-A The toothpaste component that contains Silicon stone that can be compatible with chlohexidine RHONE POULENC CHIMIE (FR) 1991-09-11 — — CN disclosed
EP-0396459-A1 Silica for dentifrice compositions which is compatible with organic amino-compounds RHONE-POULENC CHIMIE (FR) 1990-11-07 — — EP disclosed
CN-1035268-A Silica compatible with chlorhexidine for use in toothpaste compositions DUBRUC PHILIPPE (FR) 1989-09-06 — — CN disclosed
EP-0315503-A1 Silica for dentifrice compositions, compatible more particularly with chlorhexidine RHONE-POULENC CHIMIE (FR) 1989-05-10 — — EP disclosed
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