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Sugi Predict / Compounds / SCHEMBL8662402

SCHEMBL8662402

SCHEMBL8662402

CC[C@H](C)[C@@H](CN(Cc1cccc(Cl)c1Cl)C(=S)Nc1ccc(C)cc1)NC(=O)Cc1cncn1Cc1ccc(C#N)cc1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 14/20 0.40
▸ FNTB P49356 14/20 0.40
▸ PGGT1B P53609 9/20 0.40
▸ CYP11B1 P15538 2/20 0.39
▸ CYP11B2 P19099 2/20 0.39

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
SCHEMBL8662400 1.00 FNTA (0.40) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8484550 0.95 FNTA (0.40) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8486425 0.95 FNTA (0.41) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8486428 0.95 FNTA (0.41) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8499663 0.94 FNTA (0.39) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8632867 0.94 CYP11B1 (0.41) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8632868 0.94 CYP11B1 (0.41) FNTAFNTBPGGT1BCYP11B1CYP11B2
Hydrochloric Acid SCHEMBL8635400 0.93 CYP11B1 (0.40) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8481793 0.92 FNTA (0.41) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8499517 0.91 FNTA (0.40) FNTAFNTBPGGT1BCYP11B1CYP11B2

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
WO-1999012912-A1 THIOUREA DERIVATIVES OR NON-TOXIC SALTS THEREOF FOR INHIBITNG RAS-TRANSFORMED CELL GROWTH YUHAN CORPORATION (KR) 1999-03-18 — — WO disclosed