SCHEMBL8007279

SCHEMBL8007279

CC(C)n1c(=O)n(CC#N)c2cc(-c3ncc(C(F)(F)F)cc3Cl)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.39
▸ RAB9A P51151 5/20 0.39
▸ SMN1; SMN2 Q16637 5/20 0.39
▸ PKM P14618 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ P2RX3 P56373 2/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ STAT3 P40763 1/20 0.37
▸ STAT1 P42224 1/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SENP8 Q96LD8 1/20 0.37
▸ SENP7 Q9BQF6 1/20 0.37
▸ SENP6 Q9GZR1 1/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL8009664 0.91 ALDH1A1 (0.38) NPC1RAB9ASMN1; SMN2PKMALDH1A1
SCHEMBL8009560 0.83 GRIN1 (0.40) NPC1RAB9ASMN1; SMN2PKMALDH1A1
SCHEMBL8008014 0.83 MAPK14 (0.50) NPC1RAB9ASMN1; SMN2PKMALDH1A1
SCHEMBL8009389 0.82 GRIN1 (0.49) SMN1; SMN2ALDH1A1KDM4EPOLBHTT
SCHEMBL7997383 0.74 PGR (0.47) NPC1RAB9ASMN1; SMN2PKMALDH1A1
SCHEMBL27432293 0.71 ALDH1A1 (0.41) NPC1RAB9ASMN1; SMN2PKMALDH1A1
SCHEMBL9033850 0.69 B3GNT2 (0.46) SMN1; SMN2ALDH1A1KDM4EPOLB
SCHEMBL9032760 0.68 GRIN1 (0.52) SMN1; SMN2PKMALDH1A1KDM4EPOLB
SCHEMBL6176034 0.67 ALDH1A1 (0.48) NPC1RAB9ASMN1; SMN2PKMALDH1A1
SCHEMBL6180406 0.66 ALDH1A1 (0.45) NPC1RAB9ASMN1; SMN2PKMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6165941-A Substituted 2-phenylpyridines BASF AKTIENGESELLSCHAFT (DE) 2000-12-26 — — US disclosed
EP-0708769-A1 SUBSTITUTED 2-FUSED PHENYLPYRIDINES WITH HERBICIDAL ACTIVITY BASF AKTIENGESELLSCHAFT (DE) 1996-05-01 — — EP disclosed
WO-1995002590-A2 SUBSTITUTED 2-FUSED PHENYLPYRIDINES WITH HERBICIDAL ACTIVITIES BASF AKTIENGESELLSCHAFT (DE) 1995-01-26 — — WO disclosed
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