SCHEMBL15973447

SCHEMBL15973447

Cc1ccccc1-c1ccc(-c2ccc3nnn(C(=O)O)c3c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 7/20 0.47
AMY1A P0DUB6 7/20 0.47
GAA P10253 7/20 0.47
SI P14410 7/20 0.47
MGAM2 Q2M2H8 7/20 0.47
KCNMA1 Q12791 1/20 0.43
MCL1 Q07820 1/20 0.41
BRD4 O60885 1/20 0.40
HPGD P15428 2/20 0.40
F2 P00734 1/20 0.40
SLC9A1 P19634 1/20 0.40
KMT2A Q03164 1/20 0.40
MGLL Q99685 3/20 0.39
FAAH O00519 2/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ABL1 P00519 1/20 0.38
GRIN2B Q13224 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38

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
SCHEMBL15973672 0.90 KCNMA1 (0.54) MGAMAMY1AGAASIMGAM2
SCHEMBL15972715 0.89 MGAM (0.43) MGAMAMY1AGAASIMGAM2
SCHEMBL17910001 0.80 SLC9A1 (0.49) BRD4SLC9A1KMT2AALDH1A1CTSD
SCHEMBL15973817 0.79 KCNMA1 (0.50) MGAMAMY1AGAASIMGAM2
SCHEMBL17909970 0.71 TDO2 (0.54) KCNMA1HPGDSLC9A1KMT2AALDH1A1
SCHEMBL10428645 0.71 GAA (0.67) MGAMAMY1AGAASIMGAM2
SCHEMBL170673 0.70 GAA (0.71) MGAMAMY1AGAASIMGAM2
SCHEMBL7646751 0.70 GAA (0.44) MGAMAMY1AGAASIMGAM2
SCHEMBL15973382 0.69 MCL1 (0.50) MCL1MGLL
SCHEMBL15973746 0.69 MCL1 (0.50) MCL1MGLL

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-3019482-A2 TRISUBSTITUTED BENZOTRIAZOLE DERIVATIVES AS DIHYDROOROTATE OXYGENASE INHIBITORS Aurigene Discovery Technologies Limited (IN) 2016-05-18 EP disclosed
WO-2014128669-A2 TRISUBSTITUTED BENZOTRIAZOLE DERIVATIVES AS DIHYDROOROTATE OXYGENASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2014-08-28 WO disclosed