SCHEMBL6961391

SCHEMBL6961391

N#Cc1ccc(Cn2cncc2CCCCN)cc1

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 18/20 0.74
CYP11B2 P19099 18/20 0.74
CYP19A1 P11511 1/20 0.57
FNTA P49354 1/20 0.50
FNTB P49356 1/20 0.50
KCNH2 Q12809 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
SCHEMBL7475351 0.91 CYP11B1 (0.71) CYP11B1CYP11B2CYP19A1FNTAFNTB
Hydrochloric Acid SCHEMBL7473109 0.89 CYP11B1 (0.70) CYP11B1CYP11B2CYP19A1FNTAFNTB
Hydrochloric Acid SCHEMBL7802267 0.89 CYP11B1 (0.70) CYP11B1CYP11B2CYP19A1FNTAFNTB
SCHEMBL3828919 0.86 CYP11B1 (0.78) CYP11B1CYP11B2CYP19A1
SCHEMBL3822518 0.85 CYP11B1 (1.00) CYP11B1CYP11B2CYP19A1
SCHEMBL7507201 0.85 CYP11B1 (0.74) CYP11B1CYP11B2CYP19A1FNTAFNTB
SCHEMBL6776413 0.82 CYP11B1 (0.85) CYP11B1CYP11B2CYP19A1
SCHEMBL7083825 0.80 CYP11B1 (0.76) CYP11B1CYP11B2CYP19A1FNTAFNTB
SCHEMBL9258097 0.80 CYP11B1 (0.68) CYP11B1CYP11B2CYP19A1FNTAFNTB
Trifluoroacetic Acid SCHEMBL7484732 0.80 CYP11B1 (0.61) 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