SCHEMBL8213832

SCHEMBL8213832

Nc1ccc(Cl)c(NC(=O)c2ccc(O)cc2Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.53
MAPK1 P28482 1/20 0.53
JAK2 O60674 1/20 0.52
TYK2 P29597 1/20 0.52
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC1 Q13547 1/20 0.50
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PYGL P06737 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP1A2 P05177 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
RAB9A P51151 5/20 0.43
NPC1 O15118 2/20 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
SCHEMBL8216234 0.85 JAK2 (0.49) HSD17B10JAK2TYK2MAPTMEN1
SCHEMBL15668350 0.82 CYP1A2 (0.68) HSD17B10MAPK1MAPTMEN1KMT2A
SCHEMBL25395048 0.81 MAPT (0.66) HSD17B10MAPK1JAK2TYK2HDAC8
SCHEMBL8205901 0.81 MAPT (0.57) HSD17B10MAPK1JAK2TYK2MAPT
SCHEMBL8053996 0.78 SMN1; SMN2 (0.64) MAPK1JAK2MAPTMEN1KMT2A
SCHEMBL8218122 0.77 HSD17B10 (0.54) HSD17B10MAPK1HDAC8HDAC6HDAC1
SCHEMBL8216235 0.77 ALDH1A1 (0.47) HSD17B10JAK2TYK2HDAC1MAPT
SCHEMBL8212669 0.76 MAPT (0.46) HSD17B10MAPK1JAK2TYK2MAPT
SCHEMBL11219138 0.76 RAB9A (0.67) HSD17B10JAK2TYK2HDAC8HDAC6
SCHEMBL29459607 0.76 RAB9A (0.67) HSD17B10JAK2TYK2HDAC8HDAC6

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-2008021088-A2 SALICYLANILIDES ENHANCE ORAL DELIVERY OF THERAPEUTIC PEPTIDES THE REGENTS OF THE UNIVERSITY OF CALIFORNINA (US) 2008-02-21 WO disclosed