SCHEMBL8631173

SCHEMBL8631173

COc1c(Cl)cc(-c2c[nH]nc2NS(=O)(=O)c2ccccc2)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
MAPT P10636 1/20 0.43
ACLY P53396 2/20 0.42
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
PTGS2 P35354 1/20 0.40
CCR4 P51679 1/20 0.40
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAG3 Q9UGI9 1/20 0.39
PRKAG2 Q9UGJ0 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39

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
SCHEMBL8628067 0.87 SMN1; SMN2 (0.43) POLBMAPTACLYMEN1KMT2A
SCHEMBL8631045 0.86 STAT3 (0.42) ACLYKDM4ECCR4TSHRSMN1; SMN2
SCHEMBL8631080 0.84 KMO (0.52) ACLYKDM4EMEN1KMT2ANPSR1
SCHEMBL8628949 0.81 ALDH1A1 (0.43) POLBMAPTKDM4EHSD17B10MEN1
SCHEMBL8632286 0.81 KIT (0.45) MAPTKDM4EHSD17B10MEN1KMT2A
SCHEMBL8758715 0.81 ALDH1A1 (0.43) POLBMAPTACLYKDM4EMEN1
SCHEMBL8632208 0.81 STAT3 (0.51) POLBMAPTKMT2ASMN1; SMN2PRKAB2
SCHEMBL8627973 0.80 KDM1A (0.51) POLBMAPTKDM4EMEN1KMT2A
SCHEMBL8631659 0.80 NAT1 (0.53) MAPTACLYKDM4ENPSR1RXFP1
SCHEMBL8656731 0.79 MCOLN3 (0.53) POLBMAPTACLYKDM4EHSD17B10

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-5756530-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G. D. SEARLE & CO. (US) 1998-05-26 US disclosed