SCHEMBL9357580

SCHEMBL9357580

CCCCCCCCCc1ccc(-c2ccc(C=O)cn2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.62
SMN1; SMN2 Q16637 7/20 0.62
MAPT P10636 6/20 0.62
NPC1 O15118 5/20 0.62
STAT3 P40763 1/20 0.62
ATM Q13315 1/20 0.62
ALDH1A1 P00352 5/20 0.62
KDM4E B2RXH2 4/20 0.62
HPGD P15428 4/20 0.62
CASP3 P42574 2/20 0.62
SENP8 Q96LD8 2/20 0.62
SENP7 Q9BQF6 2/20 0.62
SENP6 Q9GZR1 2/20 0.62
NFKB1 P19838 2/20 0.58
NFKB2 Q00653 2/20 0.58
RELA Q04206 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.57
MAPK1 P28482 1/20 0.54
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50

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
SCHEMBL30861659 1.00 RAB9A (0.62) RAB9ASMN1; SMN2MAPTNPC1STAT3
SCHEMBL9357422 1.00 RAB9A (0.62) RAB9ASMN1; SMN2MAPTNPC1STAT3
SCHEMBL9361913 1.00 RAB9A (0.62) RAB9ASMN1; SMN2MAPTNPC1STAT3
SCHEMBL9357899 1.00 RAB9A (0.62) RAB9ASMN1; SMN2MAPTNPC1STAT3
SCHEMBL13711670 0.94 RAB9A (0.60) RAB9ASMN1; SMN2MAPTNPC1STAT3
SCHEMBL9839354 0.85 RAB9A (0.82) RAB9ASMN1; SMN2MAPTNPC1STAT3
SCHEMBL10555730 0.85 RAB9A (0.82) RAB9ASMN1; SMN2MAPTNPC1STAT3
SCHEMBL10556991 0.85 RAB9A (0.82) RAB9ASMN1; SMN2MAPTNPC1STAT3
SCHEMBL10557405 0.85 RAB9A (0.82) RAB9ASMN1; SMN2MAPTNPC1STAT3
SCHEMBL10558311 0.85 RAB9A (0.82) RAB9ASMN1; SMN2MAPTNPC1STAT3

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
EP-0391203-B1 2-Phenyl pyridins HOFFMANN LA ROCHE (CH) 1994-12-07 EP disclosed
US-5104569-A LIQUID CRYSTALLINE MIXTURES INCLUDING 2-PHENYLPYRIDINE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 1992-04-14 US disclosed
EP-0391203-A2 2-Phenyl pyridins F. HOFFMANN-LA ROCHE AG (CH) 1990-10-10 EP disclosed