SCHEMBL9359489

SCHEMBL9359489

COc1cccc2c(Oc3ccccc3)cc(C)nc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.52
TOP2A P11388 1/20 0.47
TOP2B Q02880 1/20 0.47
CRHR1 P34998 1/20 0.47
HTT P42858 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 1/20 0.46
SLC2A1 P11166 1/20 0.46
PDE10A Q9Y233 1/20 0.45
TSHR P16473 1/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NQO2 P16083 1/20 0.44
TNKS O95271 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44
PARP2 Q9UGN5 1/20 0.44
ADORA1 P30542 1/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL26766431 0.86 CRHR1 (0.58) GFERCRHR1HTTSMN1; SMN2GAA
SCHEMBL7684275 0.82 MAPT (0.53) CRHR1HTTSMN1; SMN2GAAALDH1A1
SCHEMBL7692056 0.79 ALDH1A1 (0.49) TOP2ATOP2BHTTSMN1; SMN2PDE10A
SCHEMBL7532440 0.78 CYP1A2 (0.56) HTTSMN1; SMN2GAATSHRKDM4E
SCHEMBL18535287 0.78 KDM4E (0.59) GFERCRHR1HTTSMN1; SMN2GAA
SCHEMBL7681680 0.77 CRHR1 (0.53) CRHR1HTTSMN1; SMN2TSHRALDH1A1
SCHEMBL1564292 0.75 GAA (0.54) GFERCRHR1HTTSMN1; SMN2GAA
SCHEMBL437287 0.75 NR4A2 (0.61) GFERCRHR1HTTSMN1; SMN2GAA
SCHEMBL29393886 0.75 MAPT (0.57) GFERCRHR1HTTSMN1; SMN2GAA
SCHEMBL316994 0.75 MAPT (0.57) GFERCRHR1HTTSMN1; SMN2GAA

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-0387821-B1 2-Alkyl-4-arylmethylaminoquinolines, their use and medicines containing them BASF AG (DE) 1994-08-24 EP disclosed
US-5102892-A Antisecretory agent for gastrointestinal disorders BASF AKTIENGESELLSCHAFT (DE) 1992-04-07 US disclosed
EP-0387821-A2 2-Alkyl-4-arylmethylaminoquinolines, their use and medicines containing them BASF Aktiengesellschaft (DE) 1990-09-19 EP disclosed