SCHEMBL7082235

SCHEMBL7082235

CC=CCNCCc1cncn1Cc1ccc(C#N)cc1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 13/20 0.60
CYP11B2 P19099 13/20 0.60
CYP19A1 P11511 1/20 0.52
FNTA P49354 6/20 0.49
FNTB P49356 6/20 0.49
PGGT1B P53609 6/20 0.49

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
SCHEMBL7077654 0.82 CYP11B1 (0.63) CYP11B1CYP11B2CYP19A1FNTAFNTB
SCHEMBL7081793 0.82 CYP11B1 (0.60) CYP11B1CYP11B2CYP19A1FNTAFNTB
SCHEMBL9258097 0.78 CYP11B1 (0.68) CYP11B1CYP11B2CYP19A1FNTAFNTB
SCHEMBL7085544 0.78 FNTA (0.56) CYP11B1CYP11B2CYP19A1FNTAFNTB
SCHEMBL7083863 0.76 CYP11B1 (0.58) CYP11B1CYP11B2CYP19A1FNTAFNTB
SCHEMBL7082487 0.76 CYP11B1 (0.56) CYP11B1CYP11B2CYP19A1FNTAFNTB
SCHEMBL8677989 0.76 CYP11B1 (0.70) CYP11B1CYP11B2CYP19A1FNTAFNTB
SCHEMBL7475351 0.76 CYP11B1 (0.71) CYP11B1CYP11B2CYP19A1FNTAFNTB
SCHEMBL6776413 0.76 CYP11B1 (0.85) CYP11B1CYP11B2CYP19A1
SCHEMBL3825172 0.75 CYP11B1 (1.00) CYP11B1CYP11B2CYP19A1FNTAFNTB

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