SCHEMBL8420739

SCHEMBL8420739

O=S(=O)(Nn1nc(-c2cc(F)cc(F)c2)cc1-c1ccc(Cl)cc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 6/20 0.40
KDM1A O60341 3/20 0.40
AURKA O14965 1/20 0.38
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.38
MAPT P10636 2/20 0.38
KAT6A Q92794 2/20 0.38
PTGS2 P35354 1/20 0.36
NAT1 P18440 1/20 0.36
LMNA P02545 1/20 0.36
MAOA P21397 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
SCHEMBL8420731 0.92 KDM1A (0.43) MALT1KDM1AAURKAMAPTPTGS2
SCHEMBL8422266 0.92 KDM1A (0.43) MALT1KDM1AAURKAMAPTPTGS2
SCHEMBL8420734 0.91 MALT1 (0.43) MALT1KDM1AAURKAMAPTKAT6A
SCHEMBL8421776 0.91 KDM1A (0.47) MALT1KDM1AAURKAMAPTKAT6A
SCHEMBL8641119 0.89 AURKA (0.46) MALT1KDM1AAURKAMAPTKAT6A
SCHEMBL8421953 0.89 MALT1 (0.43) MALT1KDM1AAURKAMAPTKAT6A
SCHEMBL8421767 0.89 MALT1 (0.39) MALT1KDM1AAURKAPTGESALOX5
SCHEMBL8422378 0.89 KDM1A (0.40) MALT1KDM1AAURKAPTGESALOX5
SCHEMBL8423757 0.87 KDM1A (0.41) MALT1KDM1AAURKAMAPTPTGS2
SCHEMBL8421656 0.86 KDM1A (0.42) MALT1KDM1AAURKAMAPTKAT6A

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