SCHEMBL14136200

SCHEMBL14136200

C=Cc1nc(-c2ccccc2)cnc1C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
PDGFRB P09619 1/20 0.47
KDR P35968 1/20 0.47
FLT3 P36888 1/20 0.47
ALDH1A1 P00352 2/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CYP1A2 P05177 1/20 0.39
TLR9 Q9NR96 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37

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
SCHEMBL11888377 0.86 RAB9A (0.47) SMN1; SMN2RAB9ANPC1PDGFRBKDR
SCHEMBL10205870 0.74 RAB9A (0.53) SMN1; SMN2RAB9ANPC1PDGFRBKDR
SCHEMBL14136311 0.73 TDP1 (0.44) SMN1; SMN2RAB9AALDH1A1MAPTMAPK1
SCHEMBL13415980 0.73 SMN1; SMN2 (0.51) SMN1; SMN2RAB9ANPC1PDGFRBKDR
Formamide SCHEMBL5703367 0.72 SMN1; SMN2 (0.47) SMN1; SMN2RAB9ANPC1PDGFRBKDR
SCHEMBL10307330 0.71 PDXK (0.35)
SCHEMBL29922826 0.71 PDXK (0.35)
SCHEMBL13629341 0.71 IKBKB (0.46) SMN1; SMN2RAB9ANPC1ALDH1A1GLA
SCHEMBL2912954 0.71 SMN1; SMN2 (0.53) SMN1; SMN2RAB9ANPC1PDGFRBKDR
SCHEMBL17170064 0.70 RAB9A (0.49) SMN1; SMN2RAB9ANPC1PDGFRBKDR

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
EP-1956022-A1 COMPOUND FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT Nippon Steel Chemical Co., Ltd. (JP) 2008-08-13 EP disclosed