SCHEMBL29002247

SCHEMBL29002247

Nc1ccc(-c2nc3cc[c]cc3[nH]2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.63
MAPT P10636 11/20 0.63
MEN1 O00255 11/20 0.63
KMT2A Q03164 11/20 0.63
KDM4E B2RXH2 10/20 0.63
SMN1; SMN2 Q16637 9/20 0.63
NPC1 O15118 9/20 0.63
HPGD P15428 9/20 0.63
GAA P10253 9/20 0.63
RAB9A P51151 8/20 0.63
POLB P06746 7/20 0.63
GLA P06280 6/20 0.63
GFER P55789 5/20 0.63
HSD17B10 Q99714 5/20 0.63
TP53 P04637 5/20 0.63
RXFP1 Q9HBX9 3/20 0.63
RECQL P46063 2/20 0.63
CACNA1B Q00975 3/20 0.60
APBA1 Q02410 3/20 0.60
NFKB1 P19838 3/20 0.59

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
SCHEMBL695531 0.85 ALDH1A1 (0.59) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL5885447 0.85 NPC1 (0.62) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL316190 0.83 ALDH1A1 (0.60) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL15443953 0.77 MEN1 (0.87) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL222131 0.77 ALDH1A1 (1.00) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL363703 0.77 MEN1 (1.00) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL15443951 0.77 MEN1 (0.79) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL1948270 0.77 ALDH1A1 (0.53) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL5542508 0.76 ALDH1A1 (0.37) ALDH1A1MAPTMEN1KMT2AKDM4E
Fluoride SCHEMBL31379729 0.76 ALDH1A1 (0.96) ALDH1A1MAPTMEN1KMT2AKDM4E

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-110234640-B Benzimidazole derivatives as anticancer agents 利昂贝拉尔中心 2023-04-07 CN disclosed