SCHEMBL407044

SCHEMBL407044

Cc1cc(N=C=O)cc(N=C=O)c1N=C=O

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.58
TRPA1 O75762 1/20 0.58
TDP1 Q9NUW8 2/20 0.34
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.32

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
SCHEMBL1492986 0.87 CYP3A4 (0.50) CYP3A4TRPA1TDP1GABRA1GABRB2
SCHEMBL30692018 0.82 CYP3A4 (0.46) CYP3A4TRPA1TDP1GABRA1GABRB2
SCHEMBL2172972 0.82 CYP3A4 (0.46) CYP3A4TRPA1TDP1GABRA1GABRB2
SCHEMBL163362 0.82 CYP3A4 (0.60) CYP3A4TRPA1TDP1MAPK1ALDH1A1
SCHEMBL5576975 0.79 CYP3A4 (0.47) CYP3A4TRPA1TDP1GABRA1GABRB2
SCHEMBL15317 0.79 CYP3A4 (0.61) CYP3A4TRPA1TDP1GABRA1GABRB2
SCHEMBL10316650 0.78 CYP3A4 (0.43) CYP3A4TRPA1TDP1GABRA1GABRB2
SCHEMBL9063324 0.78 CYP3A4 (0.56) CYP3A4TRPA1TDP1MAPK1ALDH1A1
SCHEMBL3685073 0.78 CYP3A4 (0.47) CYP3A4TRPA1TDP1GABRA1GABRB2
SCHEMBL6057020 0.77 CYP3A4 (0.59) CYP3A4TRPA1TDP1MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230250291-A1 A METHOD FOR REDUCING HYDROGEN SULFIDE EMISSIONS DURING PRODUCTION OF ASPHALT COMPOSITION BASF SE (DE) 2023-08-10 US claimed
EP-4179027-A1 A METHOD FOR REDUCING HYDROGEN SULFIDE EMISSIONS DURING PRODUCTION OF ASPHALT COMPOSITION BASF SE (DE) 2023-05-17 EP claimed
US-20230057607-A1 ASPHALT COMPOSITION COMPRISING THERMOSETTING REACTIVE COMPOUND BASF SE (DE) 2023-02-23 US claimed
WO-2022084394-A1 COMPOSITE ARTICLE BASF SE (DE) 2022-04-28 WO claimed
WO-2022008754-A1 A METHOD FOR REDUCING HYDROGEN SULFIDE EMISSIONS DURING PRODUCTION OF ASPHALT COMPOSITION BASF SE (DE) 2022-01-13 WO claimed
WO-2021148418-A1 ASPHALT COMPOSITION COMPRISING THERMOSETTING REACTIVE COMPOUND BASF SE (DE) 2021-07-29 WO claimed
WO-2021053012-A1 A POLYURETHANE GEL FOR MEDICAL PADDING APPLICATION BASF SE (DE) 2021-03-25 WO claimed
JP-4772147-B2 2011-09-14 JP claimed
EP-2021420-A1 TIRE HAVING A COATED SURFACE Pirelli Tyre S.p.A. (IT) 2009-02-11 EP claimed
WO-2007137608-A1 TIRE HAVING A COATED SURFACE PIRELLI TYRE S.P.A. (IT) 2007-12-06 WO claimed
EP-0048117-A2 In-mold coating compositions containing a non-isocyanate-reactive unsaturated resin, a non-isocyanate-reactive monomer and a free isocyanate-containing compound ICI AMERICAS INC. (US) 1982-03-24 EP claimed
EP-4396268-A1 PROCESS FOR PREPARATION OF ASPHALT MIX COMPOSITION BASF SE (DE) 2024-07-10 EP disclosed
EP-4396411-A1 PROCESS FOR PREPARATION OF ASPHALT MIX COMPOSITION, ASPHALT MIX COMPOSITION AND ITS USE BASF SE (DE) 2024-07-10 EP disclosed
US-20240217165-A1 PROCESS OF MODIFYING SURFACE OF A COMPOSITE MATERIAL BASE UNIT BASF SE (DE) 2024-07-04 US disclosed
WO-2024137400-A1 HYBRID COIL SPRING ISOLATOR BASF SE (DE) 2024-06-27 WO disclosed
US-4049378-A Dyestuff preparations BAYER AKTIENGESELLSCHAFT (DT) 1977-09-20 US disclosed
US-3991255-A ETHYLENE-PROPYLENE-DIENE TERPOLYMER; A HALOGEN DONOR UNIROYAL INC. (US) 1976-11-09 US disclosed
US-3970600-A OR ACYLUREA GROUPS BASF AKTIENGESELLSCHAFT (DT) 1976-07-20 US disclosed
US-3946038-A CHAIN EXTENDERS FOR POLYURETHANES UNIROYAL, INC. (US) 1976-03-23 US disclosed
US-3933701-A High resilience polyurethane foam OLIN CORPORATION (US) 1976-01-20 US disclosed