SCHEMBL16688024

SCHEMBL16688024

Clc1cccc(C2NC(c3ccccc3)=NC(c3ccccc3)N2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ MCL1 Q07820 1/20 0.44
▸ P2RX7 Q99572 3/20 0.41
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ GRIN2B Q13224 1/20 0.36
▸ RPS6KA3 P51812 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.35
▸ TP53 P04637 3/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ TSHR P16473 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

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
SCHEMBL18732426 0.94 GAA (0.42) GAAMAPTMEN1KMT2AMCL1
SCHEMBL24570382 0.93 GAA (0.39) GAAMAPTMEN1KMT2AMCL1
SCHEMBL24570394 0.90 P2RX7 (0.38) GAAMAPTMEN1KMT2AMCL1
SCHEMBL17876643 0.86 P2RX7 (0.43) GAAMAPTMEN1KMT2AP2RX7
SCHEMBL18885397 0.85 P2RX7 (0.50) GAAMAPTMEN1KMT2AP2RX7
SCHEMBL18561430 0.83 P2RX7 (0.41) GAAMAPTMEN1KMT2AP2RX7
SCHEMBL19007184 0.81 P2RX7 (0.46) GAAMAPTMEN1KMT2AP2RX7
SCHEMBL18561432 0.81 P2RX7 (0.38) GAAMEN1KMT2AP2RX7NPC1
SCHEMBL19637888 0.80 P2RX7 (0.38) P2RX7NOS2
SCHEMBL25622416 0.80 P2RX7 (0.38) MAPTMEN1KMT2AP2RX7NPC1

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-2015060635-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 주식회사 두산 2015-04-30 — — WO disclosed
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