SCHEMBL442328

SCHEMBL442328

Cc1cc2c(N)ccnc2cc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 4/20 0.47
SOS2 Q07890 1/20 0.47
NCF1 P14598 1/20 0.44
EHMT2 Q96KQ7 1/20 0.36
EHMT1 Q9H9B1 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
POLB P06746 2/20 0.36
MAPT P10636 2/20 0.36
BLM P54132 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
TDP2 O95551 1/20 0.36
NSD2 O96028 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SMYD3 Q9H7B4 1/20 0.35
NOS3 P29474 3/20 0.34
NOS2 P35228 3/20 0.34
UHRF1 Q96T88 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
SCHEMBL437848 0.93 NR4A2 (0.47) NR4A2SOS2NCF1EHMT2EHMT1
SCHEMBL15009950 0.79 TLR8 (0.41) MEN1KMT2AKDM4EPOLBMAPT
SCHEMBL30993822 0.79 TLR8 (0.39) NR4A2SOS2MEN1KMT2AALDH1A1
SCHEMBL12786975 0.79 TLR8 (0.39) NR4A2SOS2MEN1KMT2AALDH1A1
SCHEMBL29362546 0.76 SMN1; SMN2 (0.44) NR4A2SOS2NCF1MEN1KMT2A
SCHEMBL21591890 0.76 SMN1; SMN2 (0.44) NR4A2SOS2NCF1MEN1KMT2A
SCHEMBL437195 0.73 UHRF1 (0.35) KMT2ANOS3NOS2UHRF1NOS1
SCHEMBL3302189 0.72 ALDH1A1 (0.35) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL8306581 0.72 NR4A2 (0.61) NR4A2SOS2NCF1MEN1KMT2A
SCHEMBL31285386 0.72 NR4A2 (0.61) NR4A2SOS2NCF1EGFR

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-20120065166-A1 Bone Modulators And Methods Therewith ESPINA VIRGINIA (US) 2012-03-15 US disclosed