SCHEMBL20105779

SCHEMBL20105779

Cn1c(N)c(NCC2CCCCC2)c(=O)[nH]c1=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.44
KDM4E B2RXH2 12/20 0.41
ALDH1A1 P00352 8/20 0.41
GAA P10253 6/20 0.41
KMT2A Q03164 8/20 0.40
MEN1 O00255 7/20 0.40
LMNA P02545 2/20 0.40
GLA P06280 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.36
BRD4 O60885 1/20 0.35
GFER P55789 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL17314544 0.88 KDM4E (0.40) EPHX2KDM4EALDH1A1GAAKMT2A
SCHEMBL17314542 0.88 KDM4E (0.40) EPHX2KDM4EALDH1A1GAAKMT2A
SCHEMBL18256682 0.76 KDM4E (0.33) EPHX2KDM4EALDH1A1GAAKMT2A
SCHEMBL17682245 0.73 EPHX2 (0.44) EPHX2KDM4EALDH1A1GAAKMT2A
SCHEMBL19036786 0.73 KDM4E (0.52) EPHX2KDM4EALDH1A1GAAKMT2A
SCHEMBL15075767 0.72 KDM4E (0.46) EPHX2KDM4EALDH1A1GAAKMT2A
SCHEMBL15075874 0.72 MEN1 (0.47) EPHX2KDM4EALDH1A1GAAKMT2A
SCHEMBL15075764 0.71 KDM4E (0.44) EPHX2KDM4EALDH1A1GAAKMT2A
SCHEMBL9412532 0.70 KDM4E (0.51) EPHX2KDM4EALDH1A1GAAKMT2A
SCHEMBL19036641 0.70 KDM4E (0.50) EPHX2KDM4EALDH1A1GAAKMT2A

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-2951180-B1 2,6,7,8 SUBSTITUTED PURINES AS HDM2 INHIBITORS MERCK SHARP & DOHME (US) 2018-05-02 EP disclosed