SCHEMBL8420848

SCHEMBL8420848

O=S(=O)(Nn1nc(-c2ccccn2)cc1-c1ccc(Cl)cc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.46
KDM4E B2RXH2 3/20 0.42
LMNA P02545 2/20 0.42
KAT6A Q92794 4/20 0.42
HTR6 P50406 1/20 0.41
PTGS1 P23219 2/20 0.40
MALT1 Q9UDY8 1/20 0.40
KDM1A O60341 1/20 0.40
P4HTM Q9NXG6 1/20 0.40
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
OXTR P30559 1/20 0.38
AVPR1A P37288 1/20 0.38
ALDH1A1 P00352 1/20 0.38
AURKA O14965 1/20 0.38
SLC40A1 Q9NP59 1/20 0.37
GRM5 P41594 1/20 0.37

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
SCHEMBL8423635 0.91 AURKA (0.43) PTGS2KDM4ELMNAKAT6AHTR6
SCHEMBL8641239 0.89 KAT6A (0.44) PTGS2KDM4ELMNAKAT6AHTR6
SCHEMBL8421776 0.88 KDM1A (0.47) PTGS2KDM4EKAT6APTGS1MALT1
SCHEMBL8641119 0.87 AURKA (0.46) PTGS2KDM4EKAT6APTGS1MALT1
SCHEMBL8422366 0.85 KDM1A (0.46) PTGS2HTR6MALT1KDM1AGAA
SCHEMBL8420906 0.85 KDM1A (0.46) PTGS2HTR6MALT1KDM1AGAA
SCHEMBL8421897 0.83 USP8 (0.44) PTGS2LMNAHTR6PTGS1MALT1
SCHEMBL8420731 0.83 KDM1A (0.43) PTGS2KDM4ELMNAMALT1KDM1A
SCHEMBL8423764 0.83 MAPT (0.43) PTGS2KDM4ELMNAPTGS1MALT1
SCHEMBL8423899 0.83 KDM1A (0.43) PTGS2LMNAKAT6AMALT1KDM1A

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