SCHEMBL12150701

SCHEMBL12150701

O=P(c1cccc(N2c3ccccc3Oc3ccccc32)n1)(c1cccc(N2c3ccccc3Oc3ccccc32)n1)c1cccc(N2c3ccccc3Oc3ccccc32)n1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ P2RX4 Q99571 15/20 0.38
▸ MAPT P10636 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ P2RX1 P51575 2/20 0.31
▸ P2RX3 P56373 1/20 0.31

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
SCHEMBL12150778 0.91 P2RX4 (0.36) P2RX4MAPTSMN1; SMN2NPSR1P2RX1
SCHEMBL12150738 0.91 P2RX4 (0.36) P2RX4MAPTSMN1; SMN2NPSR1P2RX1
SCHEMBL17189491 0.84 P2RX4 (0.41) P2RX4MAPTSMN1; SMN2NPSR1P2RX1
SCHEMBL12150811 0.74 P2RX4 (0.36) P2RX4MAPTSMN1; SMN2NPSR1P2RX1
SCHEMBL29886033 0.73 P2RX4 (0.38) P2RX4MAPTSMN1; SMN2NPSR1P2RX1
SCHEMBL19797365 0.71 KMT2A (0.34) MAPTSMN1; SMN2NPSR1
SCHEMBL19797371 0.71 HTT (0.34) MAPTSMN1; SMN2NPSR1
SCHEMBL5487603 0.70 SMN1; SMN2 (0.47) P2RX4SMN1; SMN2
SCHEMBL30462881 0.70 SMN1; SMN2 (0.47) P2RX4SMN1; SMN2
SCHEMBL29886157 0.70 P2RX4 (0.37) P2RX4MAPTSMN1; SMN2NPSR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722208-B2 Organic electroluminescent device NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2014-05-13 — — US disclosed
US-8722208-B2 Organic electroluminescent device NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2014-05-13 — — US disclosed
US-20110284828-A1 ORGANIC ELECTROLUMINESCENT DEVICE NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2011-11-24 — — US disclosed
US-20110284828-A1 ORGANIC ELECTROLUMINESCENT DEVICE NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2011-11-24 — — US disclosed
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