SCHEMBL25243570

SCHEMBL25243570

O=C(OCO)c1nccs1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
RBBP9 O75884 5/20 0.41
PLA2G4A P47712 3/20 0.40
CYP1A2 P05177 3/20 0.39
CYP2D6 P10635 3/20 0.39
CYP2C19 P33261 3/20 0.39
CASP3 P42574 2/20 0.39
SENP8 Q96LD8 2/20 0.39
SENP7 Q9BQF6 2/20 0.39
SENP6 Q9GZR1 2/20 0.39
MAPT P10636 2/20 0.39
PKM P14618 1/20 0.39
CES1 P23141 1/20 0.39
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 1/20 0.35
HTT P42858 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
SCHEMBL25242978 0.85 ALDH1A1 (0.57) ALDH1A1RBBP9PLA2G4ACYP1A2CYP2D6
SCHEMBL837325 0.83 ALDH1A1 (0.55) ALDH1A1RBBP9PLA2G4ACYP1A2CYP2D6
Hydrochloric Acid SCHEMBL14763613 0.81 ALDH1A1 (0.53) ALDH1A1RBBP9PLA2G4ACYP1A2CYP2C19
Bromide SCHEMBL29000634 0.81 ALDH1A1 (0.53) ALDH1A1RBBP9PLA2G4ACYP1A2CYP2C19
SCHEMBL18669024 0.81 ALDH1A1 (0.44) ALDH1A1RBBP9PLA2G4ACYP1A2CYP2D6
SCHEMBL27647394 0.78 L3MBTL1 (0.58) ALDH1A1PLA2G4ACYP1A2CYP2D6CYP2C19
SCHEMBL18668864 0.76 PLA2G4A (0.43) ALDH1A1RBBP9PLA2G4ACES1L3MBTL1
SCHEMBL22393879 0.76 PLA2G4A (0.54) ALDH1A1RBBP9PLA2G4ACASP3SENP8
SCHEMBL1009292 0.76
SCHEMBL20746452 0.76

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
EP-4204415-A1 HETEROCYCLIC GLP-1 AGONISTS Gasherbrum Bio, Inc. (US) 2023-07-05 EP disclosed