SCHEMBL22958712

SCHEMBL22958712

c1ccc(-c2ccc(-c3cc4c5c(c3)Oc3ccccc3N5c3ccccc3O4)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 8/20 0.39
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PTGS2 P35354 1/20 0.35
P2RX1 P51575 1/20 0.33
P2RX3 P56373 1/20 0.33
ALOX5 P09917 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL15489957 0.96 P2RX4 (0.39) P2RX4MAPTSMN1; SMN2NPSR1P2RX1
SCHEMBL22958738 0.95 MAPT (0.37) P2RX4MAPTSMN1; SMN2NPSR1PTGS2
SCHEMBL22958713 0.95 P2RX4 (0.36) P2RX4MAPTSMN1; SMN2NPSR1PTGS2
SCHEMBL22958716 0.94 MGLL (0.37) P2RX4MAPTSMN1; SMN2NPSR1PTGS2
SCHEMBL30721161 0.93 P2RX4 (0.41) P2RX4MAPTSMN1; SMN2NPSR1P2RX1
SCHEMBL15489910 0.93 P2RX4 (0.41) P2RX4MAPTSMN1; SMN2NPSR1P2RX1
SCHEMBL30822885 0.93 P2RX4 (0.41) P2RX4MAPTSMN1; SMN2NPSR1P2RX1
SCHEMBL20199989 0.92 MAPT (0.35) P2RX4MAPTSMN1; SMN2NPSR1ALDH1A1
SCHEMBL20199998 0.90 MAPT (0.36) P2RX4MAPTSMN1; SMN2NPSR1ALDH1A1
SCHEMBL22958660 0.90 MGLL (0.37) P2RX4MAPTSMN1; SMN2NPSR1PTGS2

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-20210043852-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2021-02-11 US disclosed