SCHEMBL13200686

SCHEMBL13200686

CCC(C)NCc1cccc(CN)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.47
ALDH1A1 P00352 3/20 0.45
CYP2D6 P10635 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
NOS1 P29475 3/20 0.40
NOS2 P35228 3/20 0.40
NOS3 P29474 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP3A4 P08684 1/20 0.40
NFKB1 P19838 1/20 0.40
PNMT P11086 1/20 0.40
ENPP2 Q13822 1/20 0.40
MEP1B Q16820 3/20 0.39
LOXL2 Q9Y4K0 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LTA4H P09960 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
SLC2A1 P11166 1/20 0.38

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
SCHEMBL13200644 0.91 SIGMAR1 (0.52) CA2ALDH1A1CYP2D6SIGMAR1SMN1; SMN2
SCHEMBL21800053 0.87 ALDH1A1 (0.43) CA2ALDH1A1CYP2D6SIGMAR1NOS1
SCHEMBL13200640 0.86 CYP2D6 (0.47) CA2ALDH1A1CYP2D6SIGMAR1MEP1B
SCHEMBL21799748 0.85 SIGMAR1 (0.46) CA2ALDH1A1CYP2D6SIGMAR1SMN1; SMN2
SCHEMBL21799743 0.85 ALDH1A1 (0.47) ALDH1A1CYP2D6SIGMAR1NOS1NOS2
SCHEMBL21799954 0.84 PNMT (0.41) ALDH1A1NOS1NOS2NOS3SMN1; SMN2
SCHEMBL21799936 0.84 ALDH1A1 (0.41) CA2ALDH1A1CYP2D6SIGMAR1NOS1
SCHEMBL8063337 0.84 SLC2A1 (0.50) CA2ALDH1A1CYP2D6SIGMAR1NOS1
SCHEMBL21799590 0.83 NOS1 (0.38) CA2ALDH1A1CYP2D6SIGMAR1NOS1
SCHEMBL21799796 0.83 NOS1 (0.38) CA2ALDH1A1CYP2D6SIGMAR1NOS1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118955873-A Mono-alkylated diamines for epoxy formulations: novel curing agents for epoxy systems 赢创运营有限公司 2024-11-15 CN disclosed
CN-111434704-B Mono-alkylated diamines for epoxy formulations: novel curing agents for epoxy systems 赢创运营有限公司 2024-10-18 CN disclosed
EP-4219585-A1 MONO-ALKYLATED DIAMINES FOR EPOXY FORMULATIONS: NOVEL CURING AGENTS FOR EPOXY SYSTEMS Evonik Operations GmbH (DE) 2023-08-02 EP disclosed
EP-3680270-B1 MONO-ALKYLATED DIAMINES FOR EPOXY FORMULATIONS: NOVEL CURING AGENTS FOR EPOXY SYSTEMS EVONIK OPERATIONS GMBH (DE) 2023-07-19 EP disclosed
EP-3680270-B1 MONO-ALKYLATED DIAMINES FOR EPOXY FORMULATIONS: NOVEL CURING AGENTS FOR EPOXY SYSTEMS EVONIK OPERATIONS GMBH (DE) 2023-07-19 EP disclosed
US-11472913-B2 Mono-alkylated diamines for epoxy formulations: novel curing agents for epoxy systems EVONIK OPERATIONS GMBH (DE) 2022-10-18 US disclosed
US-11472913-B2 Mono-alkylated diamines for epoxy formulations: novel curing agents for epoxy systems EVONIK OPERATIONS GMBH (DE) 2022-10-18 US disclosed
US-11124593-B2 Modified block copolymer, method for producing modified block copolymer, and resin composition ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-09-21 US disclosed
CN-111434704-A Monoalkylated diamines for epoxy formulations: novel curing agents for epoxy systems 赢创运营有限公司 2020-07-21 CN disclosed
US-20200223978-A1 MONO-ALKYLATED DIAMINES FOR EPOXY FORMULATIONS: NOVEL CURING AGENTS FOR EPOXY SYSTEMS EVONIK OPERATIONS GMBH (DE) 2020-07-16 US disclosed
US-20200223978-A1 MONO-ALKYLATED DIAMINES FOR EPOXY FORMULATIONS: NOVEL CURING AGENTS FOR EPOXY SYSTEMS EVONIK OPERATIONS GMBH (DE) 2020-07-16 US disclosed
EP-3680270-A1 MONO-ALKYLATED DIAMINES FOR EPOXY FORMULATIONS: NOVEL CURING AGENTS FOR EPOXY SYSTEMS Evonik Operations GmbH (DE) 2020-07-15 EP disclosed
US-20200199282-A1 Modified Block Copolymer, Method for Producing Modified Block Copolymer, and Resin Composition ASAHI KASEI KABUSHIKI KAISHA (JP) 2020-06-25 US disclosed
EP-3623398-A1 MODIFIED BLOCK COPOLYMER, METHOD FOR PRODUCING MODIFIED BLOCK COPOLYMER, AND RESIN COMPOSITION Asahi Kasei Kabushiki Kaisha (JP) 2020-03-18 EP disclosed
US-7772354-B2 Golf ball layer compositions comprising modified amine curing agents ACUSHNET COMPANY (US) 2010-08-10 US disclosed
US-20080200283-A1 Golf ball layer compositions comprising modified amine curing agents JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2008-08-21 US disclosed