SCHEMBL8098288

SCHEMBL8098288

C[C@H](NC(=O)C1CCCN(Cc2cc(Cl)cc(Cl)c2)C1)c1cncn1Cc1ccc(C#N)cc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FNTA P49354 12/20 0.43
FNTB P49356 12/20 0.43
PGGT1B P53609 11/20 0.43
KCNH2 Q12809 5/20 0.43
CYP3A4 P08684 1/20 0.43
CYP11B1 P15538 3/20 0.43
CYP11B2 P19099 3/20 0.43
GAA P10253 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
SCHEMBL8097850 0.93 FNTA (0.52) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL8088935 0.93 FNTA (0.52) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL8088208 0.89 FNTA (0.44) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL8095903 0.89 CYP11B1 (0.45) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL8088439 0.88 FNTA (0.52) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL8093696 0.87 CNR1 (0.44) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL8095348 0.87 KMT2A (0.51) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8103795 0.86 CYP11B1 (0.41) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL8095365 0.86 KDM4E (0.47) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL446560 0.86 FNTA (0.45) 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