SCHEMBL22343637

SCHEMBL22343637

Cc1cc(CCC(=O)c2ccccc2C(=O)O)cc(OC[C@@H]2CC[C@H](n3cnc4c(N)ncnc43)O2)c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.46
NT5E P21589 2/20 0.40
GNMT Q14749 2/20 0.39
AHCY P23526 1/20 0.39
ADORA1 P30542 2/20 0.38
TRPM2 O94759 1/20 0.38
CHKA P35790 1/20 0.37
ENPP1 P22413 1/20 0.37

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
SCHEMBL22343707 1.00 BCHE (0.46) BCHENT5EGNMTAHCYADORA1
SCHEMBL22343537 0.91 BCHE (0.46) BCHENT5EGNMTAHCYCHKA
SCHEMBL22343667 0.90 BCHE (0.46) BCHENT5EGNMTAHCY
SCHEMBL22343765 0.90 BCHE (0.42) BCHENT5EGNMTAHCYADORA1
SCHEMBL22343674 0.89 BCHE (0.43) BCHENT5EGNMTAHCY
SCHEMBL22343662 0.88 BCHE (0.48) BCHENT5EGNMTAHCYADORA1
SCHEMBL22343664 0.85 BCHE (0.44) BCHENT5EGNMTAHCY
SCHEMBL22343609 0.85 BCHE (0.44) BCHENT5EGNMTAHCY
SCHEMBL29702996 0.85 ADORA1 (0.54) GNMTADORA1TRPM2
SCHEMBL22343649 0.80 BCHE (0.45) BCHENT5EAHCYTRPM2

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
WO-2020163673-A1 INHIBITORS OF ADENYLATE-FORMING ENZYME MENE MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2020-08-13 WO disclosed