SCHEMBL13715693

SCHEMBL13715693

CCc1cc(N=O)ccc1OC

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.43
HSD17B1 P14061 1/20 0.40
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
IDO1 P14902 2/20 0.37
ADRA1A P35348 1/20 0.37
QRFPR Q96P65 1/20 0.37
MAPK1 P28482 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36

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
SCHEMBL13890686 0.85 TAAR1 (0.43) TAAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL14215922 0.81 GABRA1 (0.51) ALDH1A1PTGS1
SCHEMBL279706 0.79 HTR3E (0.59) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL13368487 0.76 HTR3E (0.41) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL12325012 0.75 HSD17B1 (0.59) TAAR1HSD17B1ALDH1A1HSD17B10KDM4E
SCHEMBL14029026 0.74 HTR3E (0.40) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL12045524 0.74 KMT2A (0.51) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL12374585 0.74 ALDH1A1 (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL12045523 0.74 LMNA (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL12844550 0.74 PTGS1 (0.57) HTR3EHTR3BHTR3AHTR3DHTR3C

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-1465880-B1 5-SULPHANYL-4H-1,2,4-TRIAZOLE DERIVATIVES AND THEIR USE TO TREAT DISORDERS ASSOCIATED WITH SOMATOSTATINE IPSEN PHARMA (FR) 2009-08-05 EP disclosed