SCHEMBL8009664

SCHEMBL8009664

C#CCn1c(=O)n(C(C)C)c2ccc(-c3ncc(C(F)(F)F)cc3Cl)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ POLB P06746 1/20 0.38
▸ NPC1 O15118 5/20 0.38
▸ RAB9A P51151 5/20 0.38
▸ P2RX3 P56373 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ PKM P14618 1/20 0.37
▸ 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
SCHEMBL8007279 0.91 NPC1 (0.39) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL8009560 0.83 GRIN1 (0.40) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL8008014 0.83 MAPK14 (0.50) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL8009389 0.82 GRIN1 (0.49) ALDH1A1SMN1; SMN2KDM4EPOLBHTT
SCHEMBL7997383 0.74 PGR (0.47) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL27432293 0.71 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL8007049 0.70 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL9033850 0.69 B3GNT2 (0.46) ALDH1A1SMN1; SMN2KDM4EPOLB
SCHEMBL6971924 0.69 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL27458228 0.68 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1

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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