SCHEMBL30874549

SCHEMBL30874549

O=C(c1ccc(N2c3ccccc3Oc3ccccc32)cc1)c1ccc(N2c3ccccc3Oc3ccccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 13/20 0.50
HDAC6 Q9UBN7 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
STAT1 P42224 1/20 0.42
RAB9A P51151 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
P2RX1 P51575 2/20 0.40
P2RX3 P56373 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SRD5A2 P31213 1/20 0.39

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
SCHEMBL17851140 1.00 P2RX4 (0.50) P2RX4HDAC6ALDH1A1MAPTSMN1; SMN2
SCHEMBL17850889 1.00 P2RX4 (0.50) P2RX4HDAC6ALDH1A1MAPTSMN1; SMN2
SCHEMBL17879153 0.97 P2RX4 (0.56) P2RX4ALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL17851082 0.95 P2RX4 (0.46) P2RX4HDAC6ALDH1A1MAPTSMN1; SMN2
SCHEMBL31059185 0.92 L3MBTL1 (0.50) P2RX4ALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL21843452 0.92 NPC1 (0.46) P2RX4ALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL21843450 0.92 ALDH1A1 (0.48) P2RX4ALDH1A1LMNASRD5A2
SCHEMBL17851088 0.92 L3MBTL1 (0.50) P2RX4ALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL17851130 0.92 P2RX4 (0.46) P2RX4HDAC6ALDH1A1HSD17B10NPSR1
SCHEMBL18884631 0.91 P2RX4 (0.43) P2RX4HDAC6LMNAP2RX1P2RX3

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
CN-117886749-A Lithium ion battery anode material, and preparation method and application thereof 天津大学 2024-04-16 CN disclosed