SCHEMBL18752187

SCHEMBL18752187

Cc1nn2c(-c3ccccc3)n[nH]c2c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 3/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 7/20 0.41
NPC1 O15118 6/20 0.41
RAB9A P51151 6/20 0.41
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 4/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
HCRTR1 O43613 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.39
CDK8 P49336 1/20 0.39
ACVR1 Q04771 1/20 0.39
CHEK1 O14757 1/20 0.39
AKT1 P31749 1/20 0.39
GAA P10253 2/20 0.38

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
SCHEMBL14838048 0.73 KDM4E (0.30) KDM4EALDH1A1
SCHEMBL21851754 0.70 GAA (0.34) KDM4EGAA
SCHEMBL21851761 0.70 SLC2A1 (0.33)
SCHEMBL6287768 0.68 SMN1; SMN2 (0.40) KMT2ASMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL5710845 0.67 NPC1 (0.51) AKT2KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL21851798 0.67 GAA (0.34) KDM4EGAAHSD17B10
SCHEMBL6288495 0.67 RAB9A (0.40) KMT2ASMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL14838055 0.66 CYP1A2 (0.40) KMT2ASMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL4714215 0.65 KDM4E (0.63) AKT2KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL2268036 0.64 SMN1; SMN2 (0.40) KMT2ASMN1; SMN2NPC1RAB9AKDM4E

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-2492317-B1 AZO COMPOUND, AZO PIGMENT, DISPERSION CONTAINING THE AZO COMPOUND OR AZO PIGMENT, COLORING COMPOSITION, INK FOR INKJET RECORDING, INK TANK FOR INKJET RECORDING, INKJET RECORDING METHOD AND RECORDED MATERIAL FUJIFILM CORP (JP) 2017-04-19 EP disclosed