SCHEMBL6236699

SCHEMBL6236699

COc1ccc(CNC(=O)C2=CC=CNO2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.53
ALDH1A1 P00352 6/20 0.52
KMT2A Q03164 4/20 0.50
RAB9A P51151 6/20 0.49
NPC1 O15118 4/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
MEN1 O00255 2/20 0.49
EPHX2 P34913 1/20 0.49
NR1H4 Q96RI1 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 1/20 0.47
ATM Q13315 2/20 0.46
POLB P06746 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
MMP3 P08254 1/20 0.46

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
SCHEMBL6663553 0.74 ALDH1A1 (0.51) HPGDALDH1A1KMT2ARAB9ANPC1
SCHEMBL11761142 0.73 NPC1 (0.82) HPGDALDH1A1KMT2ARAB9ANPC1
SCHEMBL9416606 0.73 NPC1 (0.82) HPGDALDH1A1KMT2ARAB9ANPC1
SCHEMBL20804653 0.71 NPC1 (0.70) HPGDALDH1A1KMT2ARAB9ANPC1
SCHEMBL24576223 0.70 NPC1 (0.71) HPGDALDH1A1KMT2ARAB9ANPC1
SCHEMBL16562180 0.70 ALDH1A1 (0.69) HPGDALDH1A1KMT2ARAB9ANPC1
SCHEMBL1695235 0.69 NPC1 (0.66) HPGDALDH1A1KMT2ARAB9ANPC1
SCHEMBL15514376 0.69 ALDH1A1 (0.65) HPGDALDH1A1KMT2ARAB9ANPC1
SCHEMBL2721206 0.69 ALDH1A1 (0.65) HPGDALDH1A1KMT2ARAB9ANPC1
SCHEMBL885045 0.69 SMN1; SMN2 (0.69) HPGDALDH1A1KMT2ARAB9ANPC1

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-1537090-A1 CHROMONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2005-06-08 EP claimed
WO-2004014880-A1 CHROMONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO claimed