SCHEMBL25840356

SCHEMBL25840356

Cc1ccc2c(c1)Sc1ccccc1N2C(=O)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 16/20 0.63
P2RX4 Q99571 3/20 0.54
P2RX1 P51575 1/20 0.52
P2RX3 P56373 1/20 0.52
ACHE P22303 1/20 0.49
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
ALOX12 P18054 1/20 0.48
KMT2A Q03164 1/20 0.48
CHRM2 P08172 2/20 0.48
CHRM4 P08173 2/20 0.48
HTR1A P08908 2/20 0.48
CHRM5 P08912 2/20 0.48
CHRM1 P11229 2/20 0.48
ADRA2C P18825 2/20 0.48
CHRM3 P20309 2/20 0.48
HRH2 P25021 2/20 0.48
HTR2A P28223 2/20 0.48
HTR2C P28335 2/20 0.48

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
SCHEMBL17356860 0.81 BCHE (0.67) BCHEMEN1MAPTHPGDALOX12
SCHEMBL10083546 0.81 L3MBTL1 (0.62) BCHEP2RX4P2RX1P2RX3ACHE
SCHEMBL29767257 0.81 L3MBTL1 (0.62) BCHEP2RX4P2RX1P2RX3ACHE
SCHEMBL25840355 0.78 P2RX4 (0.79) P2RX4P2RX1P2RX3MEN1MAPT
Hydrochloric Acid SCHEMBL27595174 0.77 BCHE (0.97) BCHEACHEMAPTCHRM2CHRM4
SCHEMBL19773283 0.76 P2RX4 (0.54) BCHEP2RX4P2RX1P2RX3MAPT
SCHEMBL18906407 0.74 BCHE (0.63) BCHEP2RX4MEN1MAPTHPGD
SCHEMBL25649049 0.72 P2RX4 (0.62) BCHEP2RX4P2RX1P2RX3MEN1
SCHEMBL18904511 0.72 BCHE (0.47) BCHEMEN1MAPTHPGDALOX12
SCHEMBL24271572 0.71 BCHE (0.79) BCHEMEN1MAPTHPGDALOX12

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-2023117836-A1 ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-06-29 WO disclosed