SCHEMBL8488985

SCHEMBL8488985

C=CCNC(=S)N(Cc1ccccc1C(F)(F)F)C[C@@H](NC(=O)Cc1cncn1Cc1ccc(C#N)cc1)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.40
CYP11B2 P19099 4/20 0.40
FNTA P49354 12/20 0.39
FNTB P49356 12/20 0.39
PGGT1B P53609 7/20 0.38
KCNH2 Q12809 1/20 0.37

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
SCHEMBL8488983 1.00 CYP11B1 (0.40) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8501212 0.91 CYP11B1 (0.39) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8501216 0.91 CYP11B1 (0.39) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8501475 0.89 FNTA (0.42) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8489869 0.88 CYP11B1 (0.41) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8664357 0.88 CYP11B1 (0.41) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8491433 0.88 FNTA (0.39) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8482193 0.87 FNTA (0.39) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8492886 0.87 FNTA (0.42) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8498759 0.87 FNTA (0.42) CYP11B1CYP11B2FNTAFNTBPGGT1B

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