SCHEMBL8489571

SCHEMBL8489571

CC[C@H](C)[C@@H](CN(Cc1ccccc1C(F)(F)F)C(=S)Nc1ccc(Br)cc1)NC(=O)Cc1cncn1Cc1ccc(C#N)cc1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FNTA P49354 11/20 0.39
FNTB P49356 11/20 0.39
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
PGGT1B P53609 7/20 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
SCHEMBL8486035 0.95 CYP11B1 (0.39) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL8494065 0.95 FNTA (0.39) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL8503232 0.94 FNTA (0.38) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL8503237 0.94 FNTA (0.38) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL8498786 0.93 FNTA (0.39) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL8501603 0.93 FNTA (0.38) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL8495036 0.92 CYP11B1 (0.39) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL8643215 0.91 CYP11B1 (0.38) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL8634544 0.91 FNTA (0.38) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL8634542 0.91 FNTA (0.38) FNTAFNTBCYP11B1CYP11B2PGGT1B

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