SCHEMBL21995802

SCHEMBL21995802

Cc1nc2ccccn2c1CCBr

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 6/20 0.47
ALDH1A1 P00352 5/20 0.47
GAA P10253 3/20 0.47
MAPK1 P28482 1/20 0.46
MEN1 O00255 1/20 0.46
DPP4 P27487 1/20 0.46
NPSR1 Q6W5P4 4/20 0.45
HSD17B10 Q99714 3/20 0.44
HPGD P15428 2/20 0.44
NPC1 O15118 2/20 0.44
GLA P06280 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL859623 0.86 ALDH1A1 (0.51) KMT2AKDM4EALDH1A1GAAMAPK1
SCHEMBL9689634 0.83 KDM4E (0.53) KMT2AKDM4EALDH1A1GAAMAPK1
SCHEMBL2759541 0.81 ALDH1A1 (0.53) KMT2AKDM4EALDH1A1GAAMAPK1
SCHEMBL24348727 0.79 DPP4 (0.63) KMT2AKDM4EALDH1A1GAAMAPK1
SCHEMBL20138279 0.79 KDM4E (0.51) KMT2AKDM4EALDH1A1GAAMAPK1
SCHEMBL859998 0.79 KDM4E (0.65) KMT2AKDM4EALDH1A1GAAMAPK1
SCHEMBL13348090 0.77 KDM4E (0.45) KMT2AKDM4EALDH1A1GAAMAPK1
SCHEMBL13220757 0.77 KMT2A (0.51) KMT2AKDM4EALDH1A1GAAMAPK1
SCHEMBL10517025 0.75 ALDH1A1 (0.48) KMT2AKDM4EALDH1A1GAAMAPK1
SCHEMBL16156201 0.75 KMT2A (0.58) KMT2AKDM4EALDH1A1GAAMAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3886848-A1 PHARMACEUTICAL COMPOUNDS AND THERAPEUTIC METHODS Rutgers, The State University of New Jersey (US) 2021-10-06 EP disclosed
WO-2020112845-A1 PHARMACEUTICAL COMPOUNDS AND THERAPEUTIC METHODS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-06-04 WO disclosed