SCHEMBL183510

SCHEMBL183510

Cc1ccc(N=O)c(S(=O)(=O)Oc2ccc3nc(C#N)sc3c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.41
LMNA P02545 2/20 0.37
NPC1 O15118 1/20 0.37
CA1 P00915 4/20 0.37
KDM4E B2RXH2 2/20 0.35
MAPT P10636 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
ACP1 P24666 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RORC P51449 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
KMT2A Q03164 2/20 0.33
SCD O00767 1/20 0.33
CA12 O43570 1/20 0.33

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
SCHEMBL12652646 0.86 CA2 (0.39) CA2NPC1CA1MAPTALDH1A1
SCHEMBL138994 0.82 PTPN1 (0.43) CA2LMNANPC1CA1KDM4E
SCHEMBL140436 0.80 PTPN1 (0.43) CA2LMNANPC1CA1KDM4E
SCHEMBL183225 0.76 GPR35 (0.35) CA2LMNANPC1CA1KDM4E
SCHEMBL137699 0.74 HTT (0.45) CA2NPC1MAPTALDH1A1ACP1
SCHEMBL12872411 0.73 RAB9A (0.56) LMNANPC1KDM4EMAPTALDH1A1
SCHEMBL139851 0.72 ALPL (0.49) CA2NPC1CA1MAPTALDH1A1
SCHEMBL26691684 0.72 CA2 (0.63) CA2LMNANPC1CA1KDM4E
SCHEMBL12312893 0.71 CA2 (0.44) CA2LMNANPC1CA1MAPT
SCHEMBL906609 0.69 CYP1A2 (0.59) LMNANPC1MAPTALDH1A1HPGD

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
US-20120058501-A1 OXIDIZED GLUTATHIONE ASSAY JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2012-03-08 US disclosed