SCHEMBL8649755

SCHEMBL8649755

C=CCc1ccc(-c2ccc(O)cc2)nc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.57
SMN1; SMN2 Q16637 7/20 0.57
NPC1 O15118 7/20 0.57
MAPT P10636 4/20 0.57
STAT3 P40763 1/20 0.57
ATM Q13315 1/20 0.57
TP53 P04637 1/20 0.43
CYP11B1 P15538 3/20 0.42
CYP11B2 P19099 3/20 0.42
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 1/20 0.42
KDM1A O60341 1/20 0.42
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 4/20 0.42
MITF O75030 1/20 0.42
KLF5 Q13887 1/20 0.42

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
SCHEMBL10615812 0.98 RAB9A (0.56) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL9580386 0.90 SMN1; SMN2 (0.51) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL9278177 0.90 SMN1; SMN2 (0.50) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL9326066 0.83 RAB9A (0.60) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL4948816 0.82 ALDH1A1 (0.42) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL9604754 0.81 RAB9A (0.49) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL10748009 0.80 CASP3 (0.63) RAB9ASMN1; SMN2NPC1MAPTTP53
SCHEMBL9637460 0.80 CYP11B1 (0.53) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL7159704 0.79 MEN1 (0.55) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL10752849 0.79 CYP11B1 (0.56) RAB9ASMN1; SMN2NPC1MAPTSTAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4290871-A None JP disclosed
JP-5239027-A None JP disclosed
JP-63165370-A None JP disclosed
EP-0518189-B1 Phenyl pyridins ROLIC AG (CH) 1998-07-08 EP disclosed
US-5371230-A Phenylpyridine derivatives and liquid crystalline mixtures containing same HOFFMANN-LA ROCHE INC. (US) 1994-12-06 US disclosed
JP-H05239027-A PHENYLPYRIDINE DERIVATIVE F HOFFMANN LA ROCHE AG 1993-09-17 JP disclosed
EP-0518189-A2 Phenyl pyridins F. HOFFMANN-LA ROCHE AG (CH) 1992-12-16 EP disclosed
JP-H04290871-A PYRIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME AND TIME-SHARED LIQUID CRYSTAL DISPLAY PRODUCED BY USING THE COMPOSITION SEIKO EPSON CORP 1992-10-15 JP disclosed
JP-S63165370-A PYRIMIDINE COMPOUND ADEKA ARGUS CHEM CO LTD 1988-07-08 JP disclosed
US-4752413-A LIQUID CRYSTALS CHISSO CORPORATION (JP) 1988-06-21 US disclosed
EP-0247804-A2 2-(Alkyloxycarbonyloxyphenyl)-5-alkylpyridine and composition containing same Chisso Corporation (JP) 1987-12-02 EP disclosed