SCHEMBL28041997

SCHEMBL28041997

COc1ccc2nc3ccccc3c(N)c2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.68
KMT2A Q03164 5/20 0.61
KDM4E B2RXH2 4/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
MEN1 O00255 4/20 0.61
ALDH1A1 P00352 3/20 0.61
RAB9A P51151 3/20 0.61
LMNA P02545 3/20 0.61
NQO2 P16083 2/20 0.61
POLB P06746 2/20 0.61
NPC1 O15118 1/20 0.61
ACHE P22303 9/20 0.60
GLA P06280 2/20 0.60
HPGD P15428 2/20 0.60
CASP1 P29466 2/20 0.60
CASP7 P55210 2/20 0.60
HSD17B10 Q99714 2/20 0.60
CHRM1 P11229 2/20 0.60
CHRM2 P08172 1/20 0.60
ADRA2A P08913 1/20 0.60

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
SCHEMBL15673323 0.90 APP (0.64) APPKMT2AKDM4ESMN1; SMN2MEN1
SCHEMBL25757947 0.84 APP (0.74) APPKMT2AKDM4EMEN1ALDH1A1
Acridine SCHEMBL28132121 0.83 APP (0.60) APPKMT2AKDM4EMEN1LMNA
SCHEMBL28572152 0.83 KMT2A (0.74) KMT2AKDM4ESMN1; SMN2MEN1ALDH1A1
SCHEMBL12488031 0.81 APP (0.70) APPKMT2AKDM4EMEN1LMNA
SCHEMBL106725 0.81 APP (0.70) APPKMT2AKDM4EMEN1LMNA
SCHEMBL29365544 0.81 APP (0.70) APPKMT2AKDM4EMEN1LMNA
SCHEMBL29445571 0.81 APP (0.70) APPKMT2AKDM4EMEN1LMNA
SCHEMBL13739299 0.80 KMT2A (0.61) KMT2AKDM4ESMN1; SMN2MEN1ALDH1A1
SCHEMBL31675747 0.79 APP (0.52) APPKMT2AKDM4ESMN1; SMN2MEN1

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
CN-105136787-A Detection reagent for mono-hydroxyphenyl metabolin urine SHANGHAI FEI JI BIOTECHNOLOGY CO LTD 2015-12-09 CN disclosed