Sugi Predict

Sugi Predict / Compounds / SCHEMBL8491850

SCHEMBL8491850

SCHEMBL8491850

CCCCNC(=S)N(Cc1ccccc1C(F)(F)F)CC(C)NC(=O)Cc1cncn1Cc1ccc(C#N)cc1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 14/20 0.41
▸ FNTB P49356 13/20 0.41
▸ PGGT1B P53609 9/20 0.41
▸ KCNH2 Q12809 2/20 0.41
▸ CYP11B1 P15538 3/20 0.41
▸ CYP11B2 P19099 3/20 0.41

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
SCHEMBL8491852 1.00 FNTA (0.41) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL8489515 0.93 FNTA (0.40) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL8501806 0.93 CYP11B1 (0.42) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL8501802 0.93 CYP11B1 (0.42) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL8498835 0.93 FNTA (0.39) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL8498840 0.93 FNTA (0.39) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL8500645 0.92 FNTA (0.39) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL8480878 0.90 CYP11B1 (0.44) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8480881 0.90 CYP11B1 (0.44) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8491856 0.90 ALOX5 (0.33) FNTAFNTBPGGT1BKCNH2

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