SCHEMBL7084503

SCHEMBL7084503

Cc1ccccc1CNCCCc1cncn1Cc1ccc(C#N)cc1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.58
CYP11B2 P19099 6/20 0.58
FNTA P49354 10/20 0.56
FNTB P49356 10/20 0.56
PGGT1B P53609 7/20 0.52
CYP19A1 P11511 1/20 0.50

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 0.94 FNTA (0.56) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8389720 0.82 CYP11B1 (0.58) CYP11B1CYP11B2FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL8391976 0.81 CYP11B1 (0.57) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7083353 0.79 CYP11B1 (0.57) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7082948 0.79 CYP11B1 (0.54) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7078584 0.78 CYP11B1 (0.53) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8132740 0.78 CYP11B1 (0.58) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7077654 0.78 CYP11B1 (0.63) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7084571 0.77 CYP11B1 (0.51) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL3828919 0.75 CYP11B1 (0.78) CYP11B1CYP11B2CYP19A1

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