SCHEMBL8008014

SCHEMBL8008014

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.50
▸ ALDH1A1 P00352 5/20 0.43
▸ SMN1; SMN2 Q16637 5/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ RAB9A P51151 6/20 0.42
▸ NPC1 O15118 5/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ PKM P14618 2/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ STAT3 P40763 1/20 0.41
▸ STAT1 P42224 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SENP8 Q96LD8 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP6 Q9GZR1 1/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL8007279 0.83 NPC1 (0.39) MAPK14ALDH1A1SMN1; SMN2KDM4EPOLB
SCHEMBL8009664 0.83 ALDH1A1 (0.38) MAPK14ALDH1A1SMN1; SMN2KDM4EPOLB
SCHEMBL7997383 0.82 PGR (0.47) ALDH1A1SMN1; SMN2KDM4EPOLBRAB9A
SCHEMBL8009560 0.81 GRIN1 (0.40) MAPK14ALDH1A1SMN1; SMN2KDM4EPOLB
SCHEMBL8009389 0.80 GRIN1 (0.49) ALDH1A1SMN1; SMN2KDM4EPOLBHTT
SCHEMBL27432293 0.76 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2KDM4EPOLBRAB9A
SCHEMBL9033850 0.72 B3GNT2 (0.46) ALDH1A1SMN1; SMN2KDM4EPOLB
SCHEMBL22783988 0.70 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2KDM4EPOLBRAB9A
SCHEMBL6177219 0.69 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2KDM4EPOLBRAB9A
SCHEMBL9032760 0.69 GRIN1 (0.52) MAPK14ALDH1A1SMN1; SMN2KDM4EPOLB

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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