SCHEMBL3763223

SCHEMBL3763223

CC(=O)N(C(C)=O)c1cccc2c1cc(C)n2CC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
KDM4E B2RXH2 2/20 0.47
GLA P06280 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
STAT3 P40763 1/20 0.43
PTGDR2 Q9Y5Y4 5/20 0.41
AKR1B1 P15121 2/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RAB9A P51151 1/20 0.40
HTT P42858 1/20 0.40
APEX1 P27695 1/20 0.40

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
SCHEMBL11891661 0.85 RAB9A (0.60) GAAKDM4EALDH1A1LMNARAB9A
SCHEMBL28815311 0.80 KDM4E (0.57) KDM4EGLAALDH1A1MAPK1STAT3
SCHEMBL2988492 0.77 KDM4E (0.51) KDM4EGLAALDH1A1MAPK1STAT3
SCHEMBL1194101 0.76 THRA (0.49) KDM4EGLAALDH1A1MAPK1STAT3
SCHEMBL1054882 0.75 GAA (0.45) GAAKDM4EPTGDR2
SCHEMBL13224503 0.75 KDM4E (0.49) KDM4EGLAALDH1A1MAPK1STAT3
SCHEMBL2979855 0.73 CCR2 (0.52) KDM4EGLAALDH1A1MAPK1STAT3
SCHEMBL3561181 0.71 PTGDR2 (0.53) KDM4EGLAALDH1A1MAPK1STAT3
SCHEMBL3067363 0.70 L3MBTL1 (0.64) KDM4EALDH1A1SMN1; SMN2RAB9AHTT
SCHEMBL27847165 0.70 KDM4E (0.47) KDM4EGLAALDH1A1MAPK1STAT3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2451780-B1 INTERMEDIATES AND PROCESSES FOR THE PREPARATION OF 4-(ACETYLAMINO))-3-[(4-CHLORO-PHENYL)THIO]-2-METHYL-1H-INDOLE-1-ACETIC ACID ASTRAZENECA AB (SE) 2013-06-19 EP disclosed
EP-2451780-A1 INTERMEDIATES AND PROCESSES FOR THE PREPARATION OF 4- (ACETYLAMINO) ) -3- [ (4-CHLORO-PHENYL) THIO]-2-METHYL-1H-INDOLE-1-ACETIC ACID AstraZeneca AB (SE) 2012-05-16 EP disclosed