SCHEMBL8495276

SCHEMBL8495276

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

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FNTA P49354 15/20 0.42
FNTB P49356 15/20 0.42
PGGT1B P53609 12/20 0.42
KCNH2 Q12809 1/20 0.40
CYP11B1 P15538 3/20 0.40
CYP11B2 P19099 3/20 0.40

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
SCHEMBL8501177 0.93 FNTA (0.41) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL8498595 0.92 FNTA (0.41) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL8498596 0.92 FNTA (0.41) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL8487090 0.92 FNTA (0.41) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL8605289 0.91 FNTA (0.40) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL8493898 0.90 FNTA (0.43) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8493893 0.90 FNTA (0.43) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8492566 0.89 FNTA (0.42) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL8584259 0.89 CYP11B1 (0.41) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL8497333 0.88 FNTA (0.41) 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