SCHEMBL23018643

SCHEMBL23018643

C/C=C(\C)CNC(=O)c1ccc2c(c1)NC(=O)c1ccccc1O2

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.49
TAOK1 Q7L7X3 1/20 0.44
ABL1 P00519 2/20 0.42
DRD2 P14416 1/20 0.41
MAPT P10636 3/20 0.40
TP53 P04637 2/20 0.40
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PTPRC P08575 2/20 0.39
CTSL P07711 1/20 0.39
PTPN13 Q12923 1/20 0.39
HTR7 P34969 1/20 0.38
HTR2B P41595 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL23018477 0.86 ALOX5 (0.53) ALOX5TAOK1ABL1DRD2MAPT
SCHEMBL18667587 0.85 ALOX5 (0.45) ALOX5TAOK1ABL1DRD2MAPT
SCHEMBL18667885 0.83 ALOX5 (0.43) ALOX5TAOK1ABL1DRD2MAPT
SCHEMBL23018498 0.83 ALOX5 (0.43) ALOX5TAOK1ABL1DRD2MAPT
SCHEMBL18667892 0.81 ALOX5 (0.43) ALOX5TAOK1ABL1DRD2MAPT
SCHEMBL18664524 0.79 DRD2 (0.50) ALOX5TAOK1ABL1DRD2ALDH1A1
SCHEMBL17086340 0.78 ALOX5 (0.46) ALOX5TAOK1ABL1DRD2ALDH1A1
SCHEMBL3593402 0.78 ALOX5 (0.74) ALOX5ABL1MAPTTP53SMN1; SMN2
SCHEMBL17086074 0.77 ALOX5 (0.55) ALOX5ABL1MAPTTP53ALDH1A1
SCHEMBL4748216 0.77 ALOX5 (0.71) ALOX5ABL1MAPTALDH1A1PTPRC

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-3782626-A1 HEPATITIS B CORE PROTEIN MODULATORS Assembly Biosciences, Inc. (US) 2021-02-24 EP disclosed