SCHEMBL8095348

SCHEMBL8095348

COc1cccc(CN2CCCC(C(=O)N[C@@H](C)c3cncn3Cc3ccc(C#N)cc3)C2)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.51
MEN1 O00255 2/20 0.51
FNTA P49354 4/20 0.47
FNTB P49356 4/20 0.47
PGGT1B P53609 1/20 0.47
KDM4E B2RXH2 3/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
CHRM4 P08173 1/20 0.43

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
SCHEMBL8102496 0.94 FNTA (0.45) KMT2AMEN1FNTAFNTBPGGT1B
SCHEMBL8103821 0.92 FNTA (0.52) KMT2AMEN1FNTAFNTBPGGT1B
SCHEMBL8097850 0.91 FNTA (0.52) KMT2AMEN1FNTAFNTBPGGT1B
SCHEMBL8088935 0.91 FNTA (0.52) KMT2AMEN1FNTAFNTBPGGT1B
SCHEMBL8088208 0.90 FNTA (0.44) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8095365 0.88 KDM4E (0.47) KMT2AMEN1FNTAFNTBPGGT1B
SCHEMBL8098288 0.87 FNTA (0.43) FNTAFNTBPGGT1BGAACYP11B1
SCHEMBL8095903 0.85 CYP11B1 (0.45) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8088439 0.84 FNTA (0.52) FNTAFNTBPGGT1BKDM4ECYP11B1
SCHEMBL8095356 0.84 CYP11B1 (0.51) KMT2AMEN1FNTAFNTBPGGT1B

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