SCHEMBL8095935

SCHEMBL8095935

N#Cc1ccc(Cn2cncc2CCNC(=O)C2CC(C(=O)NC3CC3)CN(CCc3ccccc3)C2)cc1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FNTA P49354 18/20 0.55
FNTB P49356 18/20 0.55
PGGT1B P53609 17/20 0.55
KCNH2 Q12809 1/20 0.47
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45

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
SCHEMBL8095939 1.00 FNTA (0.55) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL8097899 0.93 FNTA (0.57) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL8097904 0.93 FNTA (0.57) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL8101710 0.92 FNTA (0.55) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL8101714 0.92 FNTA (0.55) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL8097918 0.89 FNTA (0.53) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL8097910 0.89 FNTA (0.53) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL8088337 0.89 FNTA (0.52) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL8088331 0.89 FNTA (0.52) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL8088609 0.87 FNTA (0.61) FNTAFNTBPGGT1BKCNH2CYP11B1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6127366-A ANTICARCINOGENIC OR ANTITUMOR AGENTS MERCK & CO., INC. (US) 2000-10-03 US disclosed