SCHEMBL22493214

SCHEMBL22493214

O=C(OCc1ccccc1)N1c2ccccc2B2c3ccccc3Oc3cccc1c32

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 10/20 0.65
P2RX1 P51575 1/20 0.65
P2RX3 P56373 1/20 0.65
CTRB1 P17538 1/20 0.44
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 3/20 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
SCHEMBL22493161 0.88 P2RX4 (0.59) P2RX4P2RX1P2RX3CTRB1NPC1
SCHEMBL22673781 0.81 P2RX4 (0.52) P2RX4P2RX1P2RX3CTRB1NPC1
SCHEMBL26478548 0.80 P2RX4 (1.00) P2RX4P2RX1P2RX3CTRB1NPC1
SCHEMBL31722365 0.80 P2RX4 (1.00) P2RX4P2RX1P2RX3CTRB1NPC1
SCHEMBL29395154 0.80 P2RX4 (1.00) P2RX4P2RX1P2RX3CTRB1NPC1
SCHEMBL22493216 0.80 P2RX4 (0.50) P2RX4P2RX1P2RX3CTRB1NPC1
SCHEMBL22493172 0.79 P2RX4 (0.49) P2RX4P2RX1P2RX3CTRB1NPC1
SCHEMBL22493215 0.78 P2RX4 (0.48) P2RX4P2RX1P2RX3CTRB1NPC1
SCHEMBL25840355 0.71 P2RX4 (0.79) P2RX4P2RX1P2RX3CTRB1NPC1
SCHEMBL16890485 0.66 P2RX4 (0.32) P2RX4

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
US-20200313096-A1 ORGANIC LIGHT-EMITTING DEVICE AND ELECTRONIC APPARATUS SAMSUNG DISPLAY CO., LTD. (KR) 2020-10-01 US disclosed