SCHEMBL8423779

SCHEMBL8423779

CNc1cccc(-c2cc(-c3ccc(Cl)cc3)nn2NS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
KDM1A O60341 3/20 0.40
MAOA P21397 1/20 0.40
AURKA O14965 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
HTT P42858 1/20 0.40
KAT6A Q92794 1/20 0.38
PGR P06401 1/20 0.38
GAA P10253 4/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
PAX8 Q06710 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP19A1 P11511 1/20 0.37
PTPN1 P18031 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
SCHEMBL8419964 0.96 MAPT (0.42) MAPTKDM1AMAOAAURKAALDH1A1
SCHEMBL8421856 0.90 KDM1A (0.41) MAPTKDM1AMAOAAURKAALDH1A1
SCHEMBL8422269 0.88 PGR (0.44) MAPTKDM1AMAOAAURKAKAT6A
SCHEMBL8641119 0.88 AURKA (0.46) MAPTKDM1AMAOAAURKAHTT
SCHEMBL8423750 0.87 KDM1A (0.46) MAPTKDM1AMAOAAURKAKAT6A
SCHEMBL8421776 0.87 KDM1A (0.47) MAPTKDM1AMAOAAURKAHTT
SCHEMBL8424033 0.85 MAPT (0.44) MAPTKDM1AMAOAAURKAKAT6A
SCHEMBL8421814 0.85 KDM1A (0.41) MAPTKDM1AMAOAAURKAALDH1A1
SCHEMBL8421953 0.85 MALT1 (0.43) MAPTKDM1AMAOAAURKAHTT
SCHEMBL8421813 0.85 KAT6A (0.44) MAPTKDM1AMAOAAURKAHPGD

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