SCHEMBL25840355

SCHEMBL25840355

Cc1ccc2c(c1)Oc1ccccc1N2C(=O)OCc1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 14/20 0.79
P2RX1 P51575 1/20 0.78
P2RX3 P56373 1/20 0.78
CTRB1 P17538 1/20 0.47
NPSR1 Q6W5P4 2/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL29395154 0.88 P2RX4 (1.00) P2RX4P2RX1P2RX3CTRB1NPSR1
SCHEMBL26478548 0.88 P2RX4 (1.00) P2RX4P2RX1P2RX3CTRB1NPSR1
SCHEMBL31722365 0.88 P2RX4 (1.00) P2RX4P2RX1P2RX3CTRB1NPSR1
SCHEMBL25840356 0.78 BCHE (0.63) P2RX4P2RX1P2RX3MAPTMEN1
SCHEMBL19773283 0.76 P2RX4 (0.54) P2RX4P2RX1P2RX3CTRB1NPSR1
SCHEMBL22808207 0.74 P2RX4 (0.57) P2RX4P2RX1P2RX3MAPTSMN1; SMN2
SCHEMBL25649049 0.72 P2RX4 (0.62) P2RX4P2RX1P2RX3CTRB1NPSR1
SCHEMBL22808203 0.71 TP53 (0.61) P2RX4P2RX1P2RX3MAPTSMN1; SMN2
SCHEMBL22493214 0.71 P2RX4 (0.65) P2RX4P2RX1P2RX3CTRB1NPSR1
SCHEMBL24428006 0.70 P2RX4 (0.54) P2RX4P2RX1P2RX3MAPTSMN1; SMN2

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