SCHEMBL7083353

SCHEMBL7083353

Cc1ccccc1NCCc1cncn1Cc1ccc(C#N)cc1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 8/20 0.57
CYP11B2 P19099 8/20 0.57
CYP19A1 P11511 1/20 0.54
FNTA P49354 8/20 0.53
FNTB P49356 8/20 0.53
PGGT1B P53609 7/20 0.53

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
SCHEMBL7085544 0.83 FNTA (0.56) CYP11B1CYP11B2CYP19A1FNTAFNTB
SCHEMBL7084503 0.79 CYP11B1 (0.58) CYP11B1CYP11B2CYP19A1FNTAFNTB
SCHEMBL7077654 0.76 CYP11B1 (0.63) CYP11B1CYP11B2CYP19A1FNTAFNTB
SCHEMBL7081793 0.76 CYP11B1 (0.60) CYP11B1CYP11B2CYP19A1FNTAFNTB
SCHEMBL6985868 0.75 CYP11B1 (0.61) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7475351 0.75 CYP11B1 (0.71) CYP11B1CYP11B2CYP19A1FNTAFNTB
SCHEMBL8677989 0.75 CYP11B1 (0.70) CYP11B1CYP11B2CYP19A1FNTAFNTB
SCHEMBL6776413 0.75 CYP11B1 (0.85) CYP11B1CYP11B2CYP19A1
SCHEMBL7082235 0.75 CYP11B1 (0.60) CYP11B1CYP11B2CYP19A1FNTAFNTB
SCHEMBL5891529 0.75 CYP11B1 (0.68) 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