SCHEMBL7076898

SCHEMBL7076898

Cc1ccc(N(CCc2cncn2Cc2ccc(C#N)cc2)C(=S)NCc2ccccc2C(F)(F)F)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.42
CYP11B2 P19099 3/20 0.42
FNTA P49354 11/20 0.40
FNTB P49356 11/20 0.40
PGGT1B P53609 7/20 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
SCHEMBL7086539 0.86 CYP11B1 (0.49) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7163852 0.85 FNTA (0.44) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7083071 0.85 KCNH2 (0.47) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7079394 0.83 CYP11B1 (0.45) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7076893 0.82 ALDH1A1 (0.42) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7165338 0.82 CYP11B1 (0.45) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7077269 0.82 CYP11B1 (0.45) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7084480 0.81 CYP11B1 (0.43) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7079792 0.81 CYP11B1 (0.43) CYP11B1CYP11B2FNTAFNTBPGGT1B
Oxalic Acid SCHEMBL7080520 0.80 CYP11B1 (0.46) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1200430-A4 THIOUREA AND ISOTHIOUREA DERIVATIVES FOR INHIBITING RAS-TRANSFORMED CELL GROWTH YUHAN CORP LTD (KR) 2003-01-22 EP disclosed
EP-1200430-A1 THIOUREA AND ISOTHIOUREA DERIVATIVES FOR INHIBITING RAS-TRANSFORMED CELL GROWTH YUHAN CORPORATION, LTD. (KR) 2002-05-02 EP disclosed
WO-2001009128-A1 THIOUREA AND ISOTHIOUREA DERIVATIVES FOR INHIBITING RAS-TRANSFORMED CELL GROWTH YUHAN CORPORATION (KR) 2001-02-08 WO disclosed