SCHEMBL8606558

SCHEMBL8606558

Cc1cccc(NC(=S)N(Cc2cccc(Cl)c2Cl)CC(C)(C)NC(=O)Cc2cncn2Cc2ccc(C#N)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FNTA P49354 10/20 0.41
FNTB P49356 10/20 0.41
PGGT1B P53609 9/20 0.41
CYP11B1 P15538 4/20 0.40
CYP11B2 P19099 4/20 0.40
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL8501334 0.95 FNTA (0.40) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8503532 0.93 FNTA (0.42) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8582438 0.93 FNTA (0.40) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8500957 0.92 FNTA (0.41) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8497691 0.91 FNTA (0.39) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8494113 0.90 CYP11B1 (0.42) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8499175 0.90 CYP11B1 (0.41) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8502968 0.90 FNTA (0.40) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8582869 0.88 FNTA (0.39) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8485205 0.88 CYP11B1 (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