SCHEMBL17189561

SCHEMBL17189561

O=P(c1ccccc1)(N1c2ccccc2Oc2ccccc21)N1c2ccccc2Oc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ P2RX4 Q99571 15/20 0.47
▸ P2RX1 P51575 2/20 0.38
▸ P2RX3 P56373 1/20 0.38
▸ CA2 P00918 1/20 0.35
▸ CA4 P22748 1/20 0.35
▸ CA5A P35218 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ USP2 O75604 1/20 0.34

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
SCHEMBL17189020 0.85 P2RX4 (0.47) P2RX4P2RX1P2RX3CA2CA4
SCHEMBL12150832 0.74 P2RX4 (0.41) P2RX4CA2
SCHEMBL17189553 0.73 BCHE (0.46) —
SCHEMBL24002957 0.72 P2RX4 (0.40) P2RX4P2RX1P2RX3
SCHEMBL19367158 0.72 P2RX4 (0.40) P2RX4P2RX1P2RX3NPSR1
SCHEMBL24002958 0.72 P2RX4 (0.40) P2RX4P2RX1P2RX3
SCHEMBL30486830 0.72 P2RX4 (0.40) P2RX4P2RX1P2RX3
SCHEMBL23911707 0.70 KDM4E (0.37) P2RX4MAPTSMN1; SMN2NPSR1
SCHEMBL23911725 0.70 MAPT (0.41) CA2CA4CA5AMAPTNPSR1
SCHEMBL13781040 0.69 FAAH (0.39) P2RX4P2RX1P2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015158692-A1 HOST MATERIALS CYNORA GMBH (DE) 2015-10-22 — — WO disclosed
EP-2933853-A1 Host materials for OLEDs cynora GmbH (DE) 2015-10-21 — — EP disclosed
EP-2933849-A1 Host materials for OLEDs cynora GmbH (DE) 2015-10-21 — — EP disclosed
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