SCHEMBL11468359

SCHEMBL11468359

Clc1ccc2nc(-c3ccccn3)nn2c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.52
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
FLT3 P36888 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CCR1 P32246 1/20 0.44
CCR5 P51681 1/20 0.44
CCR8 P51685 1/20 0.44
GRM5 P41594 3/20 0.43
GAA P10253 3/20 0.43
TP53 P04637 3/20 0.43
MAPT P10636 2/20 0.43
ADORA2A P29274 1/20 0.42
TGFBR1 P36897 2/20 0.41
TGFBR2 P37173 2/20 0.41
METAP1 P53582 1/20 0.41
KLKB1 P03952 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
SCHEMBL20125014 0.82 MAPT (0.51) AHRKDM4ETDP1FLT3L3MBTL1
SCHEMBL15828604 0.78 KDM4E (0.42) AHRKDM4ETDP1L3MBTL1TP53
SCHEMBL10799076 0.78 KDM4E (0.52) KDM4ETDP1L3MBTL1CCR1CCR5
SCHEMBL4021715 0.74 CCR1 (0.45) KDM4ETDP1FLT3L3MBTL1CCR1
SCHEMBL11012484 0.72 RAB9A (0.64) KDM4ETDP1FLT3L3MBTL1CCR1
SCHEMBL15937966 0.72 AHR (0.58) AHRKDM4EGAATP53MAPT
SCHEMBL11483589 0.69 HTT (0.47) KDM4ETDP1GRM5GAATP53
SCHEMBL10987450 0.68 KDM4E (0.52) KDM4ETDP1L3MBTL1CCR1CCR5
SCHEMBL13750598 0.68 KDM4E (0.46) KDM4ETDP1FLT3L3MBTL1CCR1
SCHEMBL15415685 0.66 AHR (0.51) AHRKDM4EL3MBTL1GAATP53

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-4183741-A POSTEMERGENCE FISONS LIMITED (GB) 1980-01-15 US disclosed