SCHEMBL23074232

SCHEMBL23074232

N=Cc1cccc(N=O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 3/20 0.36
▸ CA2 P00918 3/20 0.36
▸ CA7 P43166 3/20 0.36
▸ CA9 Q16790 3/20 0.36
▸ CYP1A2 P05177 3/20 0.33
▸ CHRM5 P08912 3/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ PKM P14618 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ THPO P40225 1/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ PMP22 Q01453 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ SENP8 Q96LD8 1/20 0.33

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
SCHEMBL878514 0.80 ALDH1A1 (0.50) CA1CA2CA7CA9CYP1A2
SCHEMBL10955309 0.78 TDP1 (0.48) CA1CA2CA7CA9CYP1A2
SCHEMBL16130510 0.77 NFE2L2 (0.50) CYP1A2MAPK1LMNAALDH1A1
SCHEMBL28457652 0.77 KDM4E (0.47) CA1CA2CA7CA9CYP1A2
SCHEMBL16243426 0.75 NFE2L2 (0.38) CYP1A2CHRM5CYP2D6NPC1CYP3A4
SCHEMBL1275147 0.75 NOS1 (0.42) CA1CA2CA7CA9CYP1A2
SCHEMBL23074231 0.74 NPC1 (0.34) CA1CA2CA7CA9CYP1A2
SCHEMBL21994058 0.72 ALDH1A1 (0.41) CA1CA2CA7CA9NPC1
SCHEMBL12669737 0.71 CYP1A2 (0.45) CA1CA2CYP1A2NPC1MEN1
SCHEMBL28242437 0.71 NFE2L2 (0.51) CYP1A2L3MBTL1HDAC6

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
EP-3789426-A1 POLYARYLETHER KETONE IMIDE SULFONE ADHESIVES The Boeing Company (US) 2021-03-10 — — EP disclosed
Send feedback