SCHEMBL29152128

SCHEMBL29152128

N#Cc1c2ccccc2c(-c2ccccc2F)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CUL4A Q13619 1/20 0.44
ADORA1 P30542 3/20 0.43
ADORA2A P29274 3/20 0.43
ALDH1A1 P00352 7/20 0.42
KDM4E B2RXH2 5/20 0.42
HSD17B10 Q99714 3/20 0.42
MAPK1 P28482 1/20 0.42
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
KMT2A Q03164 1/20 0.41
ADORA2B P29275 2/20 0.40
PDE9A O76083 1/20 0.40
PDE10A Q9Y233 1/20 0.39
NRP1 O14786 1/20 0.37
HPGD P15428 3/20 0.37
GLA P06280 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL17589452 0.83 ADORA2A (0.42) ADORA2AALDH1A1KDM4EMAPTMEN1
SCHEMBL29152146 0.77 LMNA (0.45) ALDH1A1KDM4EGAAMAPTMEN1
SCHEMBL29152139 0.77 KDM4E (0.50) ALDH1A1KDM4EHSD17B10GAAMAPT
SCHEMBL150623 0.76 ALDH1A1 (0.64) ADORA1ADORA2AALDH1A1KDM4EMAPK1
SCHEMBL29429129 0.76 ALDH1A1 (0.64) ADORA1ADORA2AALDH1A1KDM4EMAPK1
SCHEMBL20549063 0.74 KDM4E (0.52) ADORA1ADORA2AALDH1A1KDM4EHSD17B10
SCHEMBL3724169 0.74 ADORA2A (0.40) ADORA2AALDH1A1KDM4EMAPTMEN1
SCHEMBL22993074 0.74 MAPK1 (0.42) ADORA1ADORA2AKDM4EMAPK1MAPT
SCHEMBL18567978 0.74 ADORA2A (0.37) ADORA2AALDH1A1KDM4EMAPTMEN1
SCHEMBL2569036 0.74 ADORA1 (0.46) CUL4AADORA1ADORA2AALDH1A1KDM4E

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-117164478-A Method for preparing anthracycline derivative 苏州大学 2023-12-05 CN disclosed