SCHEMBL24570394

SCHEMBL24570394

Clc1cccc(-c2ccc(C3NC(c4ccccc4)=NC(c4ccccc4)N3)cc2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 3/20 0.38
▸ TAAR1 Q96RJ0 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MAOB P27338 3/20 0.36
▸ MAOA P21397 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MCL1 Q07820 1/20 0.35
▸ TSHR P16473 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ SCN2A Q99250 1/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ ALOX5 P09917 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
SCHEMBL24570382 0.91 GAA (0.39) P2RX7GAAMAPTMAOBMAOA
SCHEMBL16688024 0.90 GAA (0.45) P2RX7TAAR1GAAMAPTMAOB
SCHEMBL18732426 0.90 GAA (0.42) P2RX7TAAR1GAAMAPTMAOB
SCHEMBL18561038 0.90 P2RX7 (0.40) P2RX7TAAR1GAAMAPTMEN1
SCHEMBL19007184 0.88 P2RX7 (0.46) P2RX7TAAR1GAAMAPTMAOB
SCHEMBL18561430 0.87 P2RX7 (0.41) P2RX7TAAR1GAAMAPTMEN1
SCHEMBL17876643 0.87 P2RX7 (0.43) P2RX7GAAMAPTMAOBMEN1
SCHEMBL19007621 0.87 P2RX7 (0.43) P2RX7GAAMEN1KMT2ATSHR
SCHEMBL17726028 0.85 P2RX7 (0.39) P2RX7GAAMEN1KMT2ATSHR
SCHEMBL18561432 0.84 P2RX7 (0.38) P2RX7TAAR1GAAMEN1KMT2A

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
WO-2022139455-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 솔루스첨단소재 주식회사 2022-06-30 — — WO disclosed
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