SCHEMBL18560838

SCHEMBL18560838

c1ccc(-c2cccc(-c3ccc(C4=NC(c5cccc(-c6ccccc6)c5)NC(c5cccc(-c6cccc(-c7ccccc7)c6)c5)=N4)cc3)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NISCH Q9Y2I1 1/20 0.38
▸ P2RX7 Q99572 2/20 0.36
▸ NOS2 P35228 1/20 0.35
▸ GP6 Q9HCN6 1/20 0.33
▸ KMT2A Q03164 4/20 0.32
▸ KDM4E B2RXH2 3/20 0.32
▸ GAA P10253 3/20 0.32
▸ MEN1 O00255 3/20 0.32
▸ MAPT P10636 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ GFER P55789 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ SLC5A2 P31639 1/20 0.31
▸ ESR1 P03372 1/20 0.30

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
SCHEMBL18562519 0.97 NISCH (0.38) NISCHP2RX7NOS2GP6KMT2A
SCHEMBL17297458 0.96 NISCH (0.39) NISCHP2RX7NOS2GP6KMT2A
SCHEMBL20038955 0.94 NISCH (0.40) NISCHP2RX7NOS2GP6KMT2A
SCHEMBL22875684 0.93 P2RX7 (0.38) NISCHP2RX7NOS2GP6KMT2A
SCHEMBL20038798 0.93 NISCH (0.39) NISCHP2RX7NOS2GP6KMT2A
SCHEMBL18561340 0.93 NISCH (0.39) NISCHP2RX7NOS2GP6KMT2A
SCHEMBL24312403 0.92 GP6 (0.34) NISCHP2RX7NOS2GP6KMT2A
SCHEMBL20083029 0.92 GP6 (0.34) NISCHP2RX7NOS2GP6KMT2A
SCHEMBL21699066 0.92 GP6 (0.34) NISCHP2RX7NOS2GP6KMT2A
SCHEMBL22213070 0.91 P2RX7 (0.36) NISCHP2RX7NOS2GP6KMT2A

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
EP-2695882-B1 ORGANIC COMPOUND, CHARGE TRANSPORT MATERIAL, COMPOSITION CONTAINING SAID COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE MITSUBISHI CHEM CORP (JP) 2017-03-01 — — EP disclosed
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