SCHEMBL8097931

SCHEMBL8097931

CC(CN1CCCC(C(=O)NC(C)c2cncn2Cc2ccc(C#N)cc2)C1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.51
FNTA P49354 14/20 0.44
FNTB P49356 14/20 0.44
PGGT1B P53609 11/20 0.44
KCNH2 Q12809 1/20 0.44
CCR5 P51681 1/20 0.44
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
ALOX12 P18054 1/20 0.41
CCR2 P41597 1/20 0.41

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
SCHEMBL446560 0.95 FNTA (0.45) KMT2AFNTAFNTBPGGT1BKCNH2
SCHEMBL8095903 0.91 CYP11B1 (0.45) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL8095468 0.91 FNTA (0.43) KMT2AFNTAFNTBPGGT1BKCNH2
SCHEMBL8101380 0.90 FNTA (0.43) KMT2AFNTAFNTBPGGT1BKCNH2
SCHEMBL8104352 0.90 FNTA (0.43) KMT2AFNTAFNTBPGGT1BKCNH2
SCHEMBL8097456 0.89 FNTA (0.44) KMT2AFNTAFNTBPGGT1BKCNH2
SCHEMBL8095888 0.89 FNTA (0.42) KMT2AFNTAFNTBPGGT1BKCNH2
SCHEMBL8095560 0.88 FNTA (0.41) KMT2AFNTAFNTBPGGT1BKCNH2
SCHEMBL8088439 0.88 FNTA (0.52) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL8098226 0.88 FNTA (0.45) FNTAFNTBPGGT1BKCNH2CCR5

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