SCHEMBL10060646

SCHEMBL10060646

Cc1nc(C)nc(-c2ccc(C#Cc3ccccc3)cc2)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.61
GRM5 P41594 7/20 0.46
APP P05067 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP1A2 P05177 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
CYP2C19 P33261 1/20 0.46
THPO P40225 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL10060648 0.86 GRM5 (0.47) L3MBTL1GRM5NPC1RAB9ACYP1A2
SCHEMBL14596617 0.81 L3MBTL1 (0.82) L3MBTL1NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL1445776 0.81 L3MBTL1 (0.90) L3MBTL1NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL10060645 0.80 APP (0.50) L3MBTL1APPNPC1RAB9ASMN1; SMN2
SCHEMBL21636283 0.78 L3MBTL1 (0.68) L3MBTL1
SCHEMBL25491464 0.77 L3MBTL1 (0.91) L3MBTL1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL16373468 0.77 L3MBTL1 (0.91) L3MBTL1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL20940397 0.77 L3MBTL1 (0.91) L3MBTL1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL11978727 0.77 L3MBTL1 (0.91) L3MBTL1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL6981598 0.77 ADORA2A (0.67) APPNPC1RAB9ASMN1; SMN2CYP1A2

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-20120082836-A1 RESIN COMPOSITION FOR LASER ENGRAVING, RESIN PRINTING PLATE PRECURSOR FOR LASER ENGRAVING, RELIEF PRINTING PLATE AND METHOD FOR PRODUCTION OF RELIEF PRINTING PLATE FUJIFILM CORPORATION (JP) 2012-04-05 US disclosed