SCHEMBL10138692

SCHEMBL10138692

CO[N+](=O)c1ccc2c(c1)[nH]c(=O)n2C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
TP53 P04637 2/20 0.43
PGR P06401 2/20 0.42
MAOB P27338 3/20 0.41
MAPT P10636 4/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
DAO P14920 1/20 0.36
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
PDE2A O00408 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
BRD4 O60885 1/20 0.35
CCR4 P51679 1/20 0.35

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
SCHEMBL29634290 0.81 PGR (0.60) LMNAPGRMAPTSIRT2DAO
SCHEMBL2718464 0.81 PGR (0.60) LMNAPGRMAPTSIRT2DAO
SCHEMBL10139723 0.81 KMT2A (0.47) TP53SIRT2KDM4EGAA
SCHEMBL1857924 0.74 LMNA (0.57) LMNATP53MAOBMAPTPDE3B
SCHEMBL13233690 0.74 BRPF1 (0.46) LMNATP53MAPTKDM4EGAA
SCHEMBL10139240 0.72 GRIA1 (0.47) MAPTPDE3BPDE3AKDM4EGAA
SCHEMBL3263393 0.72 DAO (0.66) LMNATP53PGRMAOBMAPT
SCHEMBL26666463 0.71 LMNA (0.53) LMNATP53PGRMAOBMAPT
SCHEMBL13672562 0.71 LMNA (0.53) LMNATP53PGRMAOBMAPT
SCHEMBL25318060 0.70 LMNA (0.56) LMNATP53PGRMAOBMAPT

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-2012059932-A1 2, 4 -DIAMINOPYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-05-10 WO disclosed