SCHEMBL7083863

SCHEMBL7083863

N#Cc1ccc(Cn2cncc2CCNCC2CCCCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 7/20 0.58
CYP11B2 P19099 7/20 0.58
FNTA P49354 13/20 0.55
FNTB P49356 13/20 0.55
PGGT1B P53609 10/20 0.55
CYP19A1 P11511 1/20 0.47
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
SCHEMBL8431360 0.83 FNTA (0.54) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8097470 0.83 FNTA (0.54) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7077654 0.78 CYP11B1 (0.63) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7081793 0.78 CYP11B1 (0.60) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8531142 0.77 CYP11B1 (0.59) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7083862 0.77 CYP11B1 (0.56) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL6776413 0.76 CYP11B1 (0.85) CYP11B1CYP11B2CYP19A1
Hydrochloric Acid SCHEMBL8534308 0.76 CYP11B1 (0.58) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7082235 0.76 CYP11B1 (0.60) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7075812 0.75 CYP11B1 (0.60) 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