SCHEMBL8423866

SCHEMBL8423866

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
CYP2C9 P11712 1/20 0.43
NPY5R Q15761 4/20 0.42
KEAP1 Q14145 1/20 0.42
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
ALDH1A1 P00352 3/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.42
GFER P55789 1/20 0.42
MMP2 P08253 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL8423873 0.99 MAPT (0.47) MAPTCYP2C9NPY5RKEAP1KMT2A
SCHEMBL8423764 0.93 MAPT (0.43) MAPTNPY5RKEAP1KMT2AMEN1
SCHEMBL8422285 0.93 MAPT (0.43) MAPTNPY5RKEAP1KMT2AMEN1
SCHEMBL8422371 0.92 MAPT (0.45) MAPTCYP2C9NPY5RKMT2AMEN1
SCHEMBL8641119 0.87 AURKA (0.46) MAPTCYP2C9KMT2AMEN1SMN1; SMN2
SCHEMBL8422144 0.86 MAPT (0.45) MAPTCYP2C9NPY5RKMT2AMEN1
SCHEMBL8421857 0.86 UQCRB (0.43) MAPTCYP2C9NPY5RKMT2AMEN1
SCHEMBL8421776 0.86 KDM1A (0.47) MAPTKMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL8422134 0.86 MAPT (0.51) MAPTCYP2C9NPY5RKMT2AMEN1
SCHEMBL8420749 0.86 MAPT (0.52) MAPTCYP2C9NPY5RKMT2AMEN1

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