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Sugi Predict / Compounds / SCHEMBL7675136

SCHEMBL7675136

SCHEMBL7675136

CNC(=O)/C=C(\c1ccccc1)c1ccc2nc(NC(=O)C(F)(F)F)c(S(=O)(=O)C(C)C)n2c1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.33
▸ CYP2C9 P11712 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ MCHR1 Q99705 3/20 0.31
▸ CDK4 P11802 1/20 0.31
▸ CCNE1 P24864 1/20 0.31
▸ CDK2 P24941 1/20 0.31

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
SCHEMBL7683376 0.87 CDK2 (0.39) KMT2AMEN1ALDH1A1RAB9AMCHR1
SCHEMBL7676610 0.85 CYP2C9 (0.35) KMT2ACYP2C9MEN1ALDH1A1RAB9A
SCHEMBL7676605 0.85 CYP2C9 (0.35) KMT2ACYP2C9MEN1ALDH1A1RAB9A
SCHEMBL7674268 0.83 AKT1 (0.39) KMT2ACYP2C9MEN1ALDH1A1RAB9A
SCHEMBL7681605 0.82 CDK2 (0.39) CDK4CCNE1CDK2
SCHEMBL7673995 0.80 AKT1 (0.33) KMT2ACYP2C9MEN1ALDH1A1RAB9A
SCHEMBL7680630 0.80 AKT1 (0.33) KMT2ACYP2C9MEN1ALDH1A1RAB9A
SCHEMBL7673714 0.79 LRRK2 (0.37) KMT2ACYP2C9MEN1ALDH1A1RAB9A
SCHEMBL7677552 0.78 CDK2 (0.32) CYP2C9CDK4CCNE1CDK2
SCHEMBL7677654 0.78 NTRK1 (0.33) CYP2C9CDK4CCNE1CDK2

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-6358971-B1 FOR INHIBITING THE GROWTH OF A PICORNAVIRUS ELI LILLY AND COMPANY 2002-03-19 — — US disclosed