SCHEMBL22663783

SCHEMBL22663783

O=C/C=C\C(=O)Nc1ccc(-c2nc3ccc(NC(=O)/C=C\C(=O)O)cc3o2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.59
▸ RAB9A P51151 6/20 0.59
▸ KMT2A Q03164 4/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ CASP3 P42574 1/20 0.54
▸ SENP8 Q96LD8 1/20 0.54
▸ SENP7 Q9BQF6 1/20 0.54
▸ SENP6 Q9GZR1 1/20 0.54
▸ KDM4E B2RXH2 6/20 0.51
▸ ALDH1A1 P00352 6/20 0.51
▸ LPAR2 Q9HBW0 1/20 0.49
▸ LPAR3 Q9UBY5 1/20 0.49
▸ SMN1; SMN2 Q16637 6/20 0.48
▸ MAPT P10636 5/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ HPSE Q9Y251 5/20 0.47
▸ NAMPT P43490 1/20 0.45
▸ PPARG P37231 1/20 0.44
▸ GLA P06280 1/20 0.43

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
SCHEMBL22658725 0.93 NPC1 (0.67) NPC1RAB9AKMT2AMEN1CASP3
SCHEMBL22664020 0.91 PPARG (0.54) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL22663680 0.84 ALDH1A1 (0.60) NPC1RAB9AKMT2AMEN1CASP3
SCHEMBL22664035 0.76 ALDH1A1 (0.54) NPC1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL16817733 0.70 NAMPT (0.65) NPC1RAB9AKMT2AMEN1CASP3
SCHEMBL13381223 0.69 LPAR2 (1.00) KMT2AMEN1KDM4EALDH1A1LPAR2
SCHEMBL29802067 0.69 CASP3 (0.70) NPC1RAB9AKMT2AMEN1CASP3
SCHEMBL29802221 0.69 CASP3 (0.73) NPC1RAB9AKMT2AMEN1CASP3
SCHEMBL29802090 0.69 CASP3 (0.70) NPC1RAB9AKMT2AMEN1CASP3
SCHEMBL22658673 0.68 ALDH1A1 (0.58) NPC1RAB9AKMT2AKDM4EALDH1A1

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-2020232338-A1 POSITIVE TONE PHOTOSENSITIVE COMPOSITIONS CONTAINING AMIC ACID AS LATENT BASE CATALYST PROMERUS, LLC (US) 2020-11-19 — — WO disclosed
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