SCHEMBL11074333

SCHEMBL11074333

NC(=O)c1ccc2c(c1)CC(c1ccccc1)CC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.42
HSD17B3 P37058 1/20 0.41
SGPL1 O95470 2/20 0.41
S1PR1 P21453 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MCHR1 Q99705 1/20 0.41
PARP14 Q460N5 5/20 0.40
PARP10 Q53GL7 4/20 0.40
DAPK3 O43293 1/20 0.40
JAK2 O60674 1/20 0.40
CSF1R P07333 1/20 0.40
RET P07949 1/20 0.40
PRKACA P17612 1/20 0.40
LTK P29376 1/20 0.40
GRK5 P34947 1/20 0.40
KDR P35968 1/20 0.40
MAP2K2 P36507 1/20 0.40
MAPK8 P45983 1/20 0.40
CSNK1A1 P48729 1/20 0.40
CDK8 P49336 1/20 0.40

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
SCHEMBL10247009 0.83 HDAC8 (0.57) HDAC8HDAC6
SCHEMBL4869535 0.80 PARP14 (0.39) KDM1AHSD17B3KDM4EMCHR1PARP14
SCHEMBL10246917 0.78 HDAC6 (0.51) SGPL1S1PR1HDAC8HDAC6
SCHEMBL8434564 0.77 DRD2 (0.60) KDM1AKDM4E
SCHEMBL367380 0.76 KDM1A (0.46) KDM1AHSD17B3PARP10PARP1HDAC8
SCHEMBL4790634 0.74 GRIN2B (0.59) DAPK3JAK2CSF1RRETPRKACA
SCHEMBL26052456 0.74 GRIN2B (0.59) DAPK3JAK2CSF1RRETPRKACA
SCHEMBL29683570 0.74 GRIN2B (0.59) DAPK3JAK2CSF1RRETPRKACA
SCHEMBL21168435 0.72 HSD17B3 (0.55) KDM1AHSD17B3KDM4EPARP1
SCHEMBL27943409 0.72 PDE4A (0.49) KDM1APARP10PARP1

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
US-4462923-A Disubstituted pyrimidines HOFFMANN-LA ROCHE INC. (US) 1984-07-31 US disclosed