SCHEMBL9014827

SCHEMBL9014827

NNC(=O)CC(=S)NN(C(=O)c1ccccc1O)C(=O)c1ccccc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.42
CA9 Q16790 7/20 0.42
TSHR P16473 4/20 0.41
L1CAM P32004 1/20 0.40
KDM4E B2RXH2 3/20 0.39
HPGD P15428 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 3/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MPO P05164 1/20 0.37
HIF1A Q16665 1/20 0.37
CA2 P00918 2/20 0.36
CA12 O43570 1/20 0.36
HMGB1 P09429 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA7 P43166 1/20 0.36

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
SCHEMBL1133172 0.84 CA1 (0.43) CA1CA9TSHRL1CAMKDM4E
SCHEMBL548547 0.83 CA1 (0.47) CA1CA9TSHRL1CAMKDM4E
SCHEMBL20952418 0.79 HDAC3 (0.40) TSHRKDM4EHPGDALDH1A1MAPT
SCHEMBL11689088 0.74 GAA (0.41) CA1CA9TSHRKDM4EHPGD
SCHEMBL6436974 0.72 KDM4E (0.39) CA1CA9TSHRKDM4EHPGD
SCHEMBL11328037 0.72 KDM4E (0.47) CA1CA9TSHRL1CAMKDM4E
SCHEMBL28261515 0.71 NAAA (0.39) CA1CA9TSHRKDM4EHPGD
SCHEMBL11321424 0.71 NAAA (0.39) CA1CA9TSHRKDM4EHPGD
SCHEMBL78143 0.70 KDM4E (0.45) CA1CA9TSHRL1CAMKDM4E
SCHEMBL9067407 0.70 CA1 (0.50) CA1CA9TSHRL1CAMKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0743309-A1 o-Hydroxyphenyl-s-triazines as UV stabilisers CIBA-GEIGY AG (CH) 1996-11-20 EP disclosed