SCHEMBL17851200

SCHEMBL17851200

c1ccc(-c2cccc(C3=NC(c4cccc(-c5ccccc5)c4)NC(c4cccc(-c5ccccc5)c4)N3)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 2/20 0.40
▸ NISCH Q9Y2I1 1/20 0.39
▸ GP6 Q9HCN6 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ NOS2 P35228 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SLC5A2 P31639 1/20 0.31
▸ KMO O15229 1/20 0.30
▸ MAOA P21397 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
SCHEMBL18561425 0.99 P2RX7 (0.39) P2RX7NISCHGP6ALDH1A1CYP1A2
SCHEMBL18561432 0.94 P2RX7 (0.38) P2RX7NISCHGP6ALDH1A1CYP1A2
SCHEMBL18561430 0.92 P2RX7 (0.41) P2RX7NISCHGP6ALDH1A1CYP1A2
SCHEMBL19007621 0.91 P2RX7 (0.43) P2RX7NISCHGP6ALDH1A1CYP1A2
SCHEMBL17726028 0.90 P2RX7 (0.39) P2RX7NISCHGP6ALDH1A1CYP1A2
SCHEMBL24747180 0.90 P2RX7 (0.35) P2RX7NISCH
SCHEMBL23511324 0.88 P2RX7 (0.32) P2RX7NISCH
SCHEMBL19534134 0.88 P2RX7 (0.38) P2RX7
SCHEMBL15468610 0.88 P2RX7 (0.46) P2RX7NISCHGP6ALDH1A1HPGD
SCHEMBL23511618 0.85 P2RX7 (0.32) P2RX7NISCH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3171421-A1 ORGANIC LIGHT-EMITTING ELEMENT Kyushu University, National University Corporation (JP) 2017-05-24 — — EP disclosed
EP-3035401-A1 ORGANIC ELECTROLUMINESCENT ELEMENT Kyushu University, National University Corporation (JP) 2016-06-22 — — EP disclosed
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