SCHEMBL7085544

SCHEMBL7085544

Cc1ccccc1CNCCc1cncn1Cc1ccc(C#N)cc1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FNTA P49354 10/20 0.56
FNTB P49356 10/20 0.56
CYP11B1 P15538 6/20 0.55
CYP11B2 P19099 6/20 0.55
PGGT1B P53609 8/20 0.54
CYP19A1 P11511 1/20 0.52

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
SCHEMBL7084503 0.94 CYP11B1 (0.58) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL7082948 0.84 CYP11B1 (0.54) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL7078584 0.84 CYP11B1 (0.53) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL7083353 0.83 CYP11B1 (0.57) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL7084571 0.82 CYP11B1 (0.51) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL7082487 0.80 CYP11B1 (0.56) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL7081793 0.79 CYP11B1 (0.60) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL7077654 0.79 CYP11B1 (0.63) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL7075812 0.78 CYP11B1 (0.60) FNTAFNTBCYP11B1CYP11B2PGGT1B
SCHEMBL7704721 0.78 FNTA (0.61) FNTAFNTBPGGT1B

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