SCHEMBL21189595

SCHEMBL21189595

COc1ccc(Br)cc1C(=O)N1CCOCC1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.64
GLA P06280 1/20 0.64
ALDH1A1 P00352 3/20 0.60
KDM4E B2RXH2 1/20 0.60
GAA P10253 2/20 0.59
POLB P06746 1/20 0.57
RAB9A P51151 1/20 0.53
MAPT P10636 1/20 0.53
ALPL P05186 1/20 0.53
HPGD P15428 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL21177456 0.95 POLB (0.58) KMT2AGLAALDH1A1KDM4EGAA
SCHEMBL10711348 0.90 HTT (0.56) KMT2AGLAALDH1A1KDM4EGAA
SCHEMBL30073423 0.89 KMT2A (0.60) KMT2AGLAALDH1A1KDM4EGAA
SCHEMBL15285967 0.89 KMT2A (0.60) KMT2AGLAALDH1A1KDM4EGAA
SCHEMBL17502635 0.87 KMT2A (0.65) KMT2AALDH1A1KDM4EGAAPOLB
SCHEMBL1505357 0.86 ALDH1A1 (0.62) KMT2AGLAALDH1A1KDM4EGAA
SCHEMBL1505252 0.83 ALDH1A1 (0.60) KMT2AGLAALDH1A1KDM4EGAA
SCHEMBL5255412 0.82 RAB9A (0.61) KMT2AKDM4EGAARAB9AMAPT
SCHEMBL29717082 0.81 RAB9A (0.57) KMT2AKDM4EGAAPOLBRAB9A
SCHEMBL21177330 0.80 KMT2A (0.47) KMT2AGLAALDH1A1GAAPOLB

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-2019141694-A1 PI4KIIIBETA INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-07-25 WO disclosed