SCHEMBL3976264

SCHEMBL3976264

COc1ccccc1Cn1ccc(O)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
HPGD P15428 1/20 0.47
IDO1 P14902 2/20 0.46
ALDH1A1 P00352 3/20 0.46
DBH P09172 1/20 0.46
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MIF P14174 1/20 0.44
MAPT P10636 1/20 0.44
LMNA P02545 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
COMT P21964 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
USP2 O75604 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL1960065 0.73 MEN1 (0.49) HPGDALDH1A1DBHMEN1KMT2A
SCHEMBL8336583 0.71 CYP19A1 (0.68) ALDH1A1MEN1KMT2AMAPT
SCHEMBL6529174 0.70 ALDH1A1 (0.47) GAAALDH1A1DBHMAPTLMNA
SCHEMBL10444030 0.70 CYP2C19 (0.51) ALDH1A1MEN1KMT2AMAPTSIGMAR1
SCHEMBL6530474 0.69 ALDH1A1 (0.43) GAAIDO1ALDH1A1DBHMEN1
SCHEMBL27595895 0.67 ALDH1A1 (0.63) GAAIDO1ALDH1A1DBHCHRM2
SCHEMBL17820 0.67 IDO1 (0.57) GAAHPGDIDO1ALDH1A1CHRM2
SCHEMBL26654 0.67 IDO1 (0.69) GAAIDO1ALDH1A1CHRM2CHRM1
SCHEMBL31290863 0.67 IDO1 (0.69) GAAIDO1ALDH1A1CHRM2CHRM1
SCHEMBL10607688 0.67 IDO1 (0.69) GAAIDO1ALDH1A1CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2016078-A2 PYRROLO- AND THIAZOLO-PYRIDINE COMPOUNDS AS HIF MODULATORS FIBROGEN, INC. (US) 2009-01-21 EP disclosed
WO-2007115315-A2 PYRROLO- AND THIAZOLO-PYRIDINE COMPOUNDS AS HIF MODULATORS FIBROGEN, INC. (US) 2007-10-11 WO disclosed