SCHEMBL13645003

SCHEMBL13645003

CNC(=O)CN(CC(=O)O)c1ccc2ccccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.41
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
INSR P06213 1/20 0.40
IGF1R P08069 1/20 0.40
RAB9A P51151 2/20 0.40
CYP2D6 P10635 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KCNH2 Q12809 1/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 2/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
PLA2G2A P14555 1/20 0.39

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
SCHEMBL8852613 0.88 INSR (0.49) CYP1A2ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL13645030 0.83 OPRM1 (0.44) ALDH1A1MEN1KMT2ARAB9ASLC6A3
SCHEMBL13603860 0.83 PPARG (0.45) ALDH1A1MEN1KMT2ASMN1; SMN2INSR
SCHEMBL13645013 0.81 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL13644996 0.81 INSR (0.43) CYP1A2ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL13603934 0.79 RAB9A (0.51) CYP1A2ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL13644997 0.78 ALDH1A1 (0.44) CYP1A2ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL13645033 0.78 POLB (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL13645000 0.77 CYP1A1 (0.41) ALDH1A1MEN1KMT2ARAB9AKDM4E
SCHEMBL13645002 0.77 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A

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-20090246700-A1 PLATE-MAKING METHOD OF LITHOGRAPHIC PRINTING PLATE PRECURSOR FUJIFILM CORPORATION (JP) 2009-10-01 US disclosed