SCHEMBL8423873

SCHEMBL8423873

Nc1ccc(-c2cc(-c3ccc(N)cc3)n(NS(=O)(=O)c3ccccc3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
KEAP1 Q14145 1/20 0.43
NPY5R Q15761 4/20 0.43
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 3/20 0.43
TSHR P16473 2/20 0.43
RAB9A P51151 1/20 0.43
GFER P55789 1/20 0.43
CYP2C9 P11712 2/20 0.41
MMP2 P08253 1/20 0.39
HPGD P15428 1/20 0.38
HTR6 P50406 1/20 0.38
LMNA P02545 2/20 0.37
ALOX12 P18054 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 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
SCHEMBL8423866 0.99 MAPT (0.49) MAPTKEAP1NPY5RKMT2AMEN1
SCHEMBL8422285 0.94 MAPT (0.43) MAPTKEAP1NPY5RKMT2AMEN1
SCHEMBL8423764 0.94 MAPT (0.43) MAPTKEAP1NPY5RKMT2AMEN1
SCHEMBL8422371 0.90 MAPT (0.45) MAPTNPY5RKMT2AMEN1SMN1; SMN2
SCHEMBL8421776 0.87 KDM1A (0.47) MAPTKMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL8422134 0.87 MAPT (0.51) MAPTNPY5RKMT2AMEN1SMN1; SMN2
SCHEMBL8421857 0.87 UQCRB (0.43) MAPTNPY5RKMT2AMEN1SMN1; SMN2
SCHEMBL8420749 0.87 MAPT (0.52) MAPTNPY5RKMT2AMEN1SMN1; SMN2
SCHEMBL8422144 0.87 MAPT (0.45) MAPTNPY5RKMT2AMEN1SMN1; SMN2
SCHEMBL8641119 0.86 AURKA (0.46) MAPTKMT2AMEN1SMN1; SMN2RAB9A

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