SCHEMBL7082948

SCHEMBL7082948

N#Cc1ccc(Cn2cncc2CCNCc2cccc(Cl)c2Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.54
CYP11B2 P19099 3/20 0.54
FNTA P49354 12/20 0.53
FNTB P49356 12/20 0.53
PGGT1B P53609 10/20 0.53
KCNH2 Q12809 1/20 0.47

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
SCHEMBL8493862 0.85 FNTA (0.49) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7078584 0.85 CYP11B1 (0.53) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7085544 0.84 FNTA (0.56) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7082546 0.82 FNTA (0.44) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7082487 0.81 CYP11B1 (0.56) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7086424 0.81 POLB (0.45) FNTAFNTBPGGT1B
SCHEMBL7075812 0.80 CYP11B1 (0.60) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8486242 0.79 CYP11B1 (0.47) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7084571 0.79 CYP11B1 (0.51) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7084503 0.79 CYP11B1 (0.58) 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