SCHEMBL21603824

SCHEMBL21603824

CC(C)C(=O)Nc1ccc[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.46
MDM4 O15151 2/20 0.46
ALDH1A1 P00352 5/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
CETP P11597 1/20 0.43
ADORA1 P30542 2/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
RAB9A P51151 2/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 3/20 0.40
MDM2 Q00987 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.40
NPC1 O15118 1/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL4419122 0.78
SCHEMBL29994134 0.77 RAB9A (0.39) MAPTKMT2ARAB9AKDM4ENPC1
SCHEMBL3081010 0.75
SCHEMBL2462955 0.75
SCHEMBL28121231 0.74 SMN1; SMN2 (0.42) TP53ALDH1A1MEN1MAPTKMT2A
SCHEMBL3477030 0.74
SCHEMBL2465909 0.74
SCHEMBL4418269 0.73 MAPT (0.47) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL4413676 0.73 MAPT (0.44) TP53ALDH1A1MEN1MAPTKMT2A
SCHEMBL1042017 0.73

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
WO-2019243550-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS CAUSED BY IGE UCB Biopharma SRL (BE) 2019-12-26 WO disclosed