SCHEMBL7910798

SCHEMBL7910798

Cc1ccc(-c2ccccn2)c(N)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
TP53 P04637 5/20 0.46
NPC1 O15118 5/20 0.46
L3MBTL1 Q9Y468 4/20 0.46
ALOX15 P16050 3/20 0.46
RAB9A P51151 3/20 0.46
HPGD P15428 2/20 0.46
TGFBR1 P36897 1/20 0.45
LMNA P02545 3/20 0.45
CCR1 P32246 2/20 0.45
CCR5 P51681 2/20 0.45
CCR8 P51685 2/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
METAP1 P53582 1/20 0.45
BLM P54132 1/20 0.45
HIF1A Q16665 1/20 0.45
DOHH Q9BU89 1/20 0.45
P4HTM Q9NXG6 1/20 0.45

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
SCHEMBL10262377 0.81 KDM4E (0.48) KDM4ESMN1; SMN2TP53NPC1L3MBTL1
SCHEMBL798061 0.81 KDM4E (0.50) KDM4ESMN1; SMN2TP53NPC1L3MBTL1
SCHEMBL13637232 0.79 NOS3 (0.42) KDM4ESMN1; SMN2TP53NPC1L3MBTL1
SCHEMBL7907148 0.79 CCR1 (0.58) TGFBR1CCR1CCR8
SCHEMBL29930798 0.79 NPC1 (0.41) KDM4ESMN1; SMN2TP53NPC1L3MBTL1
SCHEMBL30496476 0.78 TGFBR1 (0.43) KDM4ESMN1; SMN2TP53NPC1L3MBTL1
SCHEMBL7915364 0.77 MBOAT4 (0.47) KDM4ENPC1RAB9ACYP1A2HTT
SCHEMBL16876610 0.77 TDO2 (0.47) KDM4ESMN1; SMN2TP53NPC1L3MBTL1
SCHEMBL30761191 0.76 IKBKB (0.49) KDM4ESMN1; SMN2TP53NPC1RAB9A
SCHEMBL16129055 0.75 KDM4E (0.51) KDM4ESMN1; SMN2TP53NPC1L3MBTL1

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-2010063663-A1 N-{[(IR,4S,6R-3-(2-PYRIDINYLCARBONYL)-3-AZABICYCLO [4.1.0]HEPT-4-YL] METHYL}-2-HETEROARYLAMINE DERIVATIVES AND USES THEREOF GLAXO GROUP LIMITED (GB) 2010-06-10 WO disclosed