SCHEMBL23991230

SCHEMBL23991230

Clc1cccc(C2=NC(c3ccccc3)NC(c3ccc(-c4ccccc4)cc3)=C2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ TP53 P04637 3/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ GLA P06280 3/20 0.36
▸ MAPT P10636 3/20 0.36
▸ HPGD P15428 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ TDP1 Q9NUW8 3/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ RECQL P46063 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ SCN2A Q99250 1/20 0.36

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
SCHEMBL19688410 0.97 TAAR1 (0.36) MAOAMAOBTP53MEN1ALDH1A1
SCHEMBL19688289 0.96 TAAR1 (0.37) MAOAMAOBTP53MEN1ALDH1A1
SCHEMBL19534168 0.88 CYP1A2 (0.43) MAOBALDH1A1MAPTHPGDL3MBTL1
SCHEMBL24787808 0.87 NUDT1 (0.38) MAOAMAOBTP53MEN1ALDH1A1
SCHEMBL18820851 0.84 CYP1A2 (0.34) MAOAMAOBSMN1; SMN2NOS2ATM
SCHEMBL18562484 0.83 NOS2 (0.36) MAOBMEN1KMT2ANPC1RAB9A
SCHEMBL21557803 0.83 ALDH1A1 (0.39) ALDH1A1MAPTHPGDTDP1RECQL
SCHEMBL15860822 0.83 NOS2 (0.41) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL18960590 0.81 HPGD (0.38) MAOBTP53MEN1ALDH1A1GLA
SCHEMBL12655056 0.80 NPC1 (0.35) MAOAMAOBMEN1ALDH1A1MAPT

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-2021215782-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 솔루스첨단소재 주식회사 (KR) 2021-10-28 — — WO disclosed
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