SCHEMBL22650895

SCHEMBL22650895

Clc1ccccc1Nc1cc2c3ccc4ccccc4c3n(-c3ccccc3)c2s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APAF1 O14727 1/20 0.36
▸ TDP2 O95551 1/20 0.36
▸ CDC25B P30305 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ CASP9 P55211 1/20 0.36
▸ CASP6 P55212 1/20 0.36
▸ CASP8 Q14790 1/20 0.36
▸ SENP8 Q96LD8 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SENP6 Q9GZR1 1/20 0.36
▸ MAPT P10636 2/20 0.34
▸ PDE5A O76074 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ C1R P00736 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL20049230 0.77 MAPK14 (0.44) APAF1TDP2CDC25BCASP3CASP7
SCHEMBL22650892 0.74 FDPS (0.35) MAPTALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL10061174 0.69 HPRT1 (0.48) CASP7MAPTALDH1A1RAB9AHTT
SCHEMBL21168885 0.68 MAPK14 (0.40) APAF1TDP2CDC25BCASP3CASP7
SCHEMBL22650897 0.68 HPRT1 (0.36) CASP7ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL24032485 0.67 CYP2A6 (0.42) L3MBTL1CNR1CNR2MAPK14HPGD
SCHEMBL16310362 0.67 L3MBTL1 (0.45) APAF1TDP2CDC25BCASP3CASP7
SCHEMBL25092534 0.67 MAPK14 (0.40) APAF1TDP2CDC25BCASP3CASP7
SCHEMBL20865396 0.66 APAF1 (0.38) APAF1TDP2CDC25BCASP3CASP7
SCHEMBL24032391 0.66 MAT2A (0.51) L3MBTL1MAPK8

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-2020226295-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING ORGANIC ELECTRIC ELEMENT 덕산네오룩스 주식회사 2020-11-12 — — WO disclosed
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