SCHEMBL18561430

SCHEMBL18561430

c1ccc(-c2cccc(-c3cccc(-c4ccc(C5=NC(c6ccc(-c7cccc(-c8cccc(-c9ccccc9)c8)c7)cc6)NC(c6cccc(-c7ccccc7)c6)N5)cc4)c3)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 2/20 0.41
▸ NISCH Q9Y2I1 2/20 0.34
▸ NOS2 P35228 1/20 0.34
▸ MEN1 O00255 5/20 0.33
▸ KMT2A Q03164 5/20 0.33
▸ NPC1 O15118 4/20 0.32
▸ RAB9A P51151 3/20 0.32
▸ GAA P10253 2/20 0.32
▸ GP6 Q9HCN6 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ KDM4E B2RXH2 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
SCHEMBL18561432 0.97 P2RX7 (0.38) P2RX7NISCHNOS2MEN1KMT2A
SCHEMBL18561038 0.94 P2RX7 (0.40) P2RX7NISCHNOS2MEN1KMT2A
SCHEMBL18561425 0.93 P2RX7 (0.39) P2RX7NISCHNOS2MEN1KMT2A
SCHEMBL17851200 0.92 P2RX7 (0.40) P2RX7NISCHNOS2MEN1KMT2A
SCHEMBL19007621 0.92 P2RX7 (0.43) P2RX7NISCHNOS2MEN1KMT2A
SCHEMBL15749799 0.91 ALDH1A1 (0.39) P2RX7NOS2MEN1KMT2ANPC1
SCHEMBL17726028 0.90 P2RX7 (0.39) P2RX7NISCHNOS2MEN1KMT2A
SCHEMBL19007184 0.90 P2RX7 (0.46) P2RX7NISCHNOS2MEN1KMT2A
SCHEMBL19534134 0.88 P2RX7 (0.38) P2RX7
SCHEMBL24570382 0.88 GAA (0.39) P2RX7MEN1KMT2ANPC1RAB9A

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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