SCHEMBL7084570

SCHEMBL7084570

CN(CCc1cncn1Cc1ccc(C#N)cc1)c1ccnc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 8/20 0.50
CYP11B2 P19099 8/20 0.50
FNTA P49354 3/20 0.46
FNTB P49356 3/20 0.46
KCNH2 Q12809 1/20 0.46
CYP19A1 P11511 1/20 0.45
PGGT1B P53609 2/20 0.42

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
SCHEMBL7084571 0.78 CYP11B1 (0.51) CYP11B1CYP11B2FNTAFNTBKCNH2
SCHEMBL7083617 0.77 CYP11B1 (0.54) CYP11B1CYP11B2FNTAFNTBCYP19A1
SCHEMBL7079952 0.73 CYP11B1 (0.48) CYP11B1CYP11B2FNTAFNTBCYP19A1
SCHEMBL3828919 0.71 CYP11B1 (0.78) CYP11B1CYP11B2CYP19A1
SCHEMBL7738231 0.70 CYP11B1 (0.64) CYP11B1CYP11B2FNTAFNTBCYP19A1
SCHEMBL7083862 0.70 CYP11B1 (0.56) CYP11B1CYP11B2FNTAFNTBKCNH2
SCHEMBL7744190 0.70 CYP11B1 (0.60) CYP11B1CYP11B2FNTAFNTBCYP19A1
SCHEMBL7475351 0.70 CYP11B1 (0.71) CYP11B1CYP11B2FNTAFNTBCYP19A1
SCHEMBL6776413 0.70 CYP11B1 (0.85) CYP11B1CYP11B2CYP19A1
Hydrochloric Acid SCHEMBL8484556 0.69 CYP11B1 (0.62) CYP11B1CYP11B2FNTAFNTBCYP19A1

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