SCHEMBL8423612

SCHEMBL8423612

O=S(=O)(Nn1nc(-c2ccccc2)c(Cl)c1-c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.41
RXFP1 Q9HBX9 2/20 0.41
KDM4E B2RXH2 2/20 0.41
PTGER1 P34995 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
PIK3CD O00329 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
SCHEMBL8421920 0.93 PTGES (0.44) NPSR1RXFP1KDM4EMEN1MAPT
SCHEMBL8688483 0.84 PTGS1 (0.51) NPSR1RXFP1KDM4ECA1CA2
SCHEMBL8688502 0.81 NPSR1 (0.35) NPSR1RXFP1KDM4ECA1CA2
SCHEMBL8693627 0.81 PTGS1 (0.38) NPSR1RXFP1KDM4ECA1CA2
SCHEMBL8689135 0.81 PTGS1 (0.43) NPSR1RXFP1KDM4ECA1CA2
SCHEMBL8693716 0.81 PTGS1 (0.43) NPSR1RXFP1KDM4ECA1CA2
SCHEMBL8424177 0.80 PTGES (0.43) NPSR1MEN1MAPTKMT2APTGES
SCHEMBL8424009 0.80 PTGES (0.43) NPSR1RXFP1KDM4EMEN1MAPT
SCHEMBL8423988 0.80 PTGES (0.43) NPSR1MEN1MAPTKMT2APTGES
SCHEMBL8423891 0.80 ALDH1A1 (0.43) NPSR1MEN1MAPTKMT2APTGES

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-5908852-A 1,3,5 trisubstituted pyrazole compounds for treatment of inflammation G. D. SEARLE & CO. (US) 1999-06-01 US disclosed