SCHEMBL8088935

SCHEMBL8088935

C[C@H](NC(=O)C1CCCN(Cc2cccc(Cl)c2)C1)c1cncn1Cc1ccc(C#N)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FNTA P49354 11/20 0.52
FNTB P49356 11/20 0.52
PGGT1B P53609 6/20 0.52
KCNH2 Q12809 4/20 0.52
CYP3A4 P08684 1/20 0.52
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.43
POLB P06746 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
SCHEMBL8097850 1.00 FNTA (0.52) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL8098288 0.93 FNTA (0.43) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL8088208 0.92 FNTA (0.44) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL8095348 0.91 KMT2A (0.51) FNTAFNTBPGGT1BKDM4EMEN1
SCHEMBL8095365 0.90 KDM4E (0.47) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL8097456 0.89 FNTA (0.44) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL8103821 0.88 FNTA (0.52) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL8088439 0.88 FNTA (0.52) FNTAFNTBPGGT1BKCNH2KDM4E
SCHEMBL8097432 0.87 FNTA (0.60) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL8095903 0.87 CYP11B1 (0.45) FNTAFNTBPGGT1BKCNH2

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