SCHEMBL375276

SCHEMBL375276

O=C(O)C1CCC(=O)N(c2c(Cl)cccc2Cl)C1O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.44
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
POLB P06746 1/20 0.40
HTT P42858 1/20 0.39
P2RX7 Q99572 6/20 0.38
TDP1 Q9NUW8 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL3557651 0.81 ALDH1A1 (0.43) NOTUMKMT2AMEN1POLBP2RX7
SCHEMBL6328796 0.67 NOTUM (0.42) NOTUMP2RX7
SCHEMBL9107908 0.64 P2RX7 (0.54) NOTUMP2RX7CYP2C19
SCHEMBL9107918 0.64 P2RX7 (0.54) NOTUMP2RX7CYP2C19
SCHEMBL17940635 0.63 P2RX7 (0.56) KMT2AMEN1HTTP2RX7CYP2C19
SCHEMBL1614091 0.63 P2RX7 (0.56) KMT2AMEN1HTTP2RX7CYP2C19
SCHEMBL288496 0.63 P2RX7 (0.56) KMT2AMEN1HTTP2RX7CYP2C19
SCHEMBL11478087 0.62 MDM2 (0.51) KMT2AMEN1POLBHTT
SCHEMBL9192753 0.61 RAF1 (0.44) NOTUMKMT2AMEN1POLB
SCHEMBL9105586 0.61 NOTUM (0.49) NOTUMKMT2AMEN1P2RX7

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
EP-1810972-B1 NITROGENOUS HETEROCYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO (JP) 2012-01-25 EP disclosed