SCHEMBL28831707

SCHEMBL28831707

CCC(=NOC(=O)c1ccccc1)C(=O)c1ccc(SCc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 1/20 0.43
KMT2A Q03164 6/20 0.42
ALDH1A1 P00352 4/20 0.42
MAPK1 P28482 1/20 0.42
HDAC3 O15379 1/20 0.41
NCOR1 O75376 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
MEN1 O00255 4/20 0.41
MAPT P10636 4/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
CDK5 Q00535 2/20 0.40
CDK5R1 Q15078 2/20 0.40
PKM P14618 2/20 0.40
KDM4E B2RXH2 2/20 0.40
TNF P01375 1/20 0.39

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
SCHEMBL28831672 0.87 CES2 (0.44) HAO1KMT2AALDH1A1HDAC3NCOR1
SCHEMBL28486023 0.87 ALDH1A1 (0.42) KMT2AALDH1A1MAPK1SMN1; SMN2MAPT
SCHEMBL20935416 0.86 ALDH1A1 (0.46) KMT2AALDH1A1MAPK1SMN1; SMN2MAPT
SCHEMBL27996485 0.86 SMN1; SMN2 (0.49) KMT2AALDH1A1MAPK1SMN1; SMN2MAPT
SCHEMBL14429957 0.85 ALDH1A1 (0.45) KMT2AALDH1A1MAPK1SMN1; SMN2MAPT
SCHEMBL245812 0.85 ALDH1A1 (0.45) KMT2AALDH1A1MAPK1SMN1; SMN2MAPT
SCHEMBL29201237 0.85 ALDH1A1 (0.45) KMT2AALDH1A1MAPK1SMN1; SMN2MAPT
SCHEMBL14429952 0.85 ALDH1A1 (0.45) KMT2AALDH1A1MAPK1SMN1; SMN2MAPT
SCHEMBL7199876 0.83 KMT2A (0.40) KMT2AALDH1A1MAPK1SMN1; SMN2MAPT
SCHEMBL28831705 0.82 NPC1 (0.38) HAO1KMT2AALDH1A1SMN1; SMN2MEN1

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
CN-114967338-A Green photosensitive resin composition, color filter and display device manufactured by using same 东友精细化工有限公司 2022-08-30 CN disclosed