SCHEMBL29940289

SCHEMBL29940289

N=Cc1ccccc1Nc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.50
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
KDM4E B2RXH2 6/20 0.50
TDP1 Q9NUW8 6/20 0.50
GAA P10253 4/20 0.50
GLA P06280 2/20 0.50
RECQL P46063 1/20 0.50
ALDH1A1 P00352 8/20 0.48
LMNA P02545 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP2D6 P10635 1/20 0.48
HSD17B10 Q99714 4/20 0.46
ALOX15 P16050 5/20 0.45
HPGD P15428 5/20 0.45
CYP3A4 P08684 3/20 0.45
TSHR P16473 2/20 0.45
TP53 P04637 2/20 0.45

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
SCHEMBL24185261 0.84 MAPT (0.39) MAPTMEN1KMT2AKDM4ETDP1
SCHEMBL9465012 0.83 MAPT (0.50) MAPTMEN1KMT2AKDM4ETDP1
SCHEMBL14000818 0.82 ALDH1A1 (0.47) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL20180549 0.80 EGFR (0.47) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL22927248 0.80 CYP3A4 (0.55) MAPTMEN1KMT2AGAAGLA
SCHEMBL19250123 0.80 NPSR1 (0.55) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL18570092 0.79 ALDH1A1 (0.40) MAPTMEN1KMT2AKDM4ETDP1
SCHEMBL96065 0.78 KMT2A (0.50) MAPTMEN1KMT2AKDM4ETDP1
SCHEMBL291979 0.78 MAPT (0.50) MAPTMEN1KMT2AKDM4ETDP1
SCHEMBL30463062 0.78 KMT2A (0.50) MAPTMEN1KMT2AKDM4ETDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4308912-A1 ALDEHYDE AND KETONE RECEPTOR MODIFICATION OF GRAPHENE Regents of the University of Minnesota (US) 2024-01-24 EP disclosed
WO-2022197521-A1 ALDEHYDE AND KETONE RECEPTOR MODIFICATION OF GRAPHENE REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2022-09-22 WO disclosed