SCHEMBL29171479

SCHEMBL29171479

O=S(=O)(c1cccs1)C1Cc2ccccc2N(Cc2cnc[nH]2)N[C@@H]1Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 8/20 0.46
▸ FNTB P49356 8/20 0.46
▸ HRAS P01112 1/20 0.46
▸ KRAS P01116 1/20 0.46
▸ PGGT1B P53609 1/20 0.46
▸ CYP2C9 P11712 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
SCHEMBL29171480 1.00 FNTA (0.46) FNTAFNTBHRASKRASPGGT1B
SCHEMBL21877258 0.89 FNTA (0.61) FNTAFNTBHRASKRASPGGT1B
SCHEMBL18041272 0.89 FNTA (0.61) FNTAFNTBHRASKRASPGGT1B
SCHEMBL18041271 0.89 FNTA (0.61) FNTAFNTBHRASKRASPGGT1B
SCHEMBL29171478 0.71 FNTA (0.79) FNTAFNTBHRASKRASPGGT1B
SCHEMBL21905458 0.70 HRH3 (0.43) FNTAFNTBHRASKRASPGGT1B
SCHEMBL10149143 0.68 CYP2C9 (0.70) CYP2C9
SCHEMBL10039032 0.65 FNTA (0.80) FNTAFNTBHRASKRASPGGT1B
SCHEMBL17547679 0.65 FNTA (0.80) FNTAFNTBHRASKRASPGGT1B
Bms-214662 SCHEMBL94663 0.63 FNTA (1.00) FNTAFNTBHRASKRASPGGT1B

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
CN-117693341-A Repentinib for the treatment of melanoma 德西费拉制药有限责任公司 2024-03-12 — — CN disclosed
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