SCHEMBL8423767

SCHEMBL8423767

Nc1ccc(-c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2S(N)(=O)=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.52
PTGS1 P23219 4/20 0.49
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
TSHR P16473 1/20 0.41
GFER P55789 1/20 0.41
ALOX12 P18054 1/20 0.41
PDPK1 O15530 1/20 0.40
MAPK9 P45984 1/20 0.40
CHRNA7 P36544 1/20 0.40

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
SCHEMBL8422286 1.00 PTGS2 (0.52) PTGS2PTGS1MEN1KMT2ARAB9A
SCHEMBL8421778 0.95 PTGS2 (0.56) PTGS2PTGS1MEN1KMT2ARAB9A
SCHEMBL8423874 0.94 CYP2C9 (0.49) PTGS2PTGS1MEN1KMT2ARAB9A
SCHEMBL8733829 0.93 PTGS2 (0.54) PTGS2PTGS1MEN1KMT2ARAB9A
SCHEMBL8423868 0.92 CYP2C9 (0.53) PTGS2PTGS1MEN1KMT2ARAB9A
SCHEMBL8423598 0.90 PTGS2 (0.47) PTGS2PTGS1MEN1KMT2ARAB9A
SCHEMBL8424034 0.90 PTGS2 (0.47) PTGS2PTGS1MEN1KMT2ARAB9A
SCHEMBL8424076 0.90 CYP2C9 (0.57) PTGS2PTGS1MEN1KMT2ARAB9A
SCHEMBL8423819 0.90 PTGS2 (0.51) PTGS2PTGS1MEN1KMT2ARAB9A
SCHEMBL8423901 0.90 PTGS2 (0.51) PTGS2PTGS1MEN1KMT2ARAB9A

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