SCHEMBL23074231

SCHEMBL23074231

C/P=C/c1cccc(N=O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.34
▸ CASP3 P42574 1/20 0.34
▸ SENP8 Q96LD8 1/20 0.34
▸ SENP7 Q9BQF6 1/20 0.34
▸ SENP6 Q9GZR1 1/20 0.34
▸ CA1 P00915 3/20 0.33
▸ CA2 P00918 3/20 0.33
▸ CA7 P43166 3/20 0.33
▸ CA9 Q16790 3/20 0.33
▸ CYP1A2 P05177 3/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ RECQL P46063 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ CHRM5 P08912 3/20 0.32
▸ CYP2D6 P10635 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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 0.75 ALDH1A1 (0.50) NPC1CASP3SENP8SENP7SENP6
SCHEMBL23074232 0.74 CA1 (0.36) NPC1CASP3SENP8SENP7SENP6
SCHEMBL10955309 0.74 TDP1 (0.48) NPC1CASP3SENP8SENP7SENP6
SCHEMBL28457652 0.72 KDM4E (0.47) NPC1CASP3SENP8SENP7SENP6
SCHEMBL16130510 0.72 NFE2L2 (0.50) CYP1A2MAPK1
SCHEMBL1275147 0.71 NOS1 (0.42) CA1CA2CA7CA9CYP1A2
SCHEMBL13241220 0.70 CHRM2 (0.35) NPC1CASP3SENP8SENP7SENP6
SCHEMBL13951995 0.70 CHRM5 (0.37) CYP1A2CYP3A4RECQLTDP1HDAC6
SCHEMBL13779257 0.69 RAF1 (0.41) NPC1CASP3SENP8SENP7SENP6
SCHEMBL1109098 0.68 SLC9A1 (0.37) CA1CA2CYP1A2CYP3A4RECQL

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
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