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SCHEMBL8610253

SCHEMBL8610253

CN(C)CCCNC(=S)N(Cc1cccc(Cl)c1Cl)CC(C)(C)NC(=O)Cc1cncn1Cc1ccc(C#N)cc1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 14/20 0.42
▸ FNTB P49356 14/20 0.42
▸ PGGT1B P53609 10/20 0.42
▸ KCNH2 Q12809 1/20 0.41
▸ CYP11B1 P15538 4/20 0.38
▸ CYP11B2 P19099 4/20 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
SCHEMBL8498811 0.96 FNTA (0.39) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL8492476 0.93 FNTA (0.40) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL8485039 0.90 FNTA (0.42) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL8497638 0.90 FNTA (0.40) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL8494113 0.89 CYP11B1 (0.42) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8502046 0.89 FNTA (0.42) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL8500957 0.86 FNTA (0.41) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8497691 0.85 FNTA (0.39) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8606558 0.85 FNTA (0.41) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8501334 0.85 FNTA (0.40) FNTAFNTBPGGT1BKCNH2CYP11B1

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