SCHEMBL28361331

SCHEMBL28361331

CCc1ccccc1-c1cnn(N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.42
▸ GRM5 P41594 1/20 0.41
▸ ALOX5AP P20292 1/20 0.40
▸ FEN1 P39748 1/20 0.40
▸ TLR8 Q9NR97 1/20 0.39
▸ BRD4 O60885 2/20 0.39
▸ BRD9 Q9H8M2 1/20 0.37
▸ CREBBP Q92793 3/20 0.36
▸ MGLL Q99685 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CSNK2A2 P19784 1/20 0.36
▸ CSNK2B P67870 1/20 0.36
▸ CSNK2A1 P68400 1/20 0.36
▸ CSNK2A3 Q8NEV1 1/20 0.36
▸ ATR Q13535 1/20 0.35
▸ DPP4 P27487 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.35
▸ CCNT1 O60563 1/20 0.35
▸ CCNA2 P20248 1/20 0.35

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
SCHEMBL31048702 0.81 BRD4 (0.54) TRPA1GRM5ALOX5APFEN1BRD4
SCHEMBL25022660 0.70 DPP4 (0.52) ALOX5APFEN1BRD4DPP4SMARCA2
SCHEMBL31261742 0.69 DPP4 (0.60) TRPA1CYP2D6DPP4
SCHEMBL328862 0.69 DPP4 (0.60) TRPA1CYP2D6DPP4
SCHEMBL31181988 0.69 BRD4 (0.48) ALOX5APFEN1BRD4SMARCA2SMARCA4
SCHEMBL198461 0.69 CSNK2A2 (0.52) TRPA1MGLLCYP2D6LMNACSNK2A2
SCHEMBL20773248 0.68 CFD (0.52) BRD4LMNASMARCA2SMARCA4
SCHEMBL20777560 0.68 SMARCA2 (0.47) ALOX5APFEN1BRD4CCNA2CDK2
SCHEMBL24359881 0.68 BRD4 (0.47) GRM5BRD4SMARCA2SMARCA4
Water SCHEMBL9719797 0.68 DPP4 (0.58) TRPA1CYP2D6DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107105657-B Molecules having pesticidal utility, and intermediates, compositions, and methods related thereto 美国陶氏益农公司 2020-03-03 — — CN disclosed
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