SCHEMBL28856499

SCHEMBL28856499

CC(=O)Nc1ccc(N(O)C(=O)c2ccc3ccccc3c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
MAPT P10636 3/20 0.53
HTT P42858 2/20 0.53
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
CASP3 P42574 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
DEGS1 O15121 1/20 0.49
ESR1 P03372 1/20 0.49
ESR2 Q92731 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
HPGD P15428 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CACNA1B Q00975 1/20 0.47
APBA1 Q02410 1/20 0.47
KDM4E B2RXH2 2/20 0.45
PLA2G7 Q13093 1/20 0.44
TNIK Q9UKE5 1/20 0.44

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
SCHEMBL5051900 0.81 KDM4E (0.58) ALDH1A1MAPTESR1ESR2MEN1
SCHEMBL1176635 0.76 MEN1 (0.69) ALDH1A1MAPTHTTNPC1RAB9A
Anthracene SCHEMBL29076817 0.74 MEN1 (0.67) ALDH1A1MAPTHTTNPC1RAB9A
SCHEMBL14722452 0.73 SMN1; SMN2 (0.66) ALDH1A1MAPTHTTNPC1RAB9A
SCHEMBL8490607 0.73 ALOX15 (0.50) ALDH1A1MAPTHTTRAB9AESR1
SCHEMBL9361252 0.72 KDM4E (0.52) ALDH1A1MAPTHTTNPC1RAB9A
SCHEMBL28584481 0.71 MEN1 (0.54) ALDH1A1MAPTESR1ESR2MEN1
SCHEMBL8549110 0.71 RAB9A (0.62) ALDH1A1MAPTHTTNPC1RAB9A
SCHEMBL3302319 0.71 CES2 (0.59) ALDH1A1MAPTESR1ESR2MEN1
SCHEMBL4330052 0.71 RAB9A (0.78) ALDH1A1MAPTNPC1RAB9ACASP3

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-107629479-A A kind of pigment orange PO 38 industrialized preparing process 浙江科隆颜料科技有限公司 2018-01-26 CN disclosed