SCHEMBL28023540

SCHEMBL28023540

Nc1ccc2c(c1)Oc1cc(N)ccc1C2C=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 2/20 0.41
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
KDM4E B2RXH2 7/20 0.40
MAPT P10636 7/20 0.40
GFER P55789 4/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 5/20 0.39
NPC1 O15118 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
HSD17B10 Q99714 2/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 2/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 2/20 0.35
TSHR P16473 1/20 0.35
GLA P06280 1/20 0.35

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
SCHEMBL28142437 0.81 MAPKAPK2 (0.38) GRK6MEN1KMT2AMAPTPOLB
SCHEMBL27686118 0.77 ALDH1A1 (0.44) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL29844491 0.74 ALDH1A1 (0.38) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL940110 0.74 ALDH1A1 (0.38) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL28024021 0.73 ALDH1A1 (0.49) MEN1KMT2AKDM4EMAPTGFER
SCHEMBL27930550 0.73 GRK6 (0.41) GRK6MEN1KMT2AKDM4EMAPT
SCHEMBL28271273 0.72 NPC1 (0.37) MEN1KMT2AMAPTLMNAPOLB
SCHEMBL27973252 0.72 AHR (0.47) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL68805 0.71 MAOA (0.52) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL27478488 0.70 KMT2A (0.45) MEN1KMT2AMAPTLMNAALDH1A1

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-104870438-A SECA inhibitors and methods of making and using the same UNIV GEORGIA STATE RES FOUND 2015-08-26 CN disclosed