SCHEMBL3820643

SCHEMBL3820643

COc1ccc2c(C(=O)[C]=O)c[nH]c2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.66
TUBB1 Q9H4B7 2/20 0.64
NR4A2 P43354 2/20 0.54
ALDH1A1 P00352 5/20 0.53
KDM4E B2RXH2 3/20 0.53
NPC1 O15118 1/20 0.53
ALOX15 P16050 1/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
GAA P10253 1/20 0.52
NPSR1 Q6W5P4 2/20 0.51
MITF O75030 1/20 0.51
LMNA P02545 1/20 0.51
RAB9A P51151 1/20 0.51
HSD17B10 Q99714 1/20 0.51
RECQL P46063 1/20 0.49
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49

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
SCHEMBL28318422 0.88 NR4A2 (0.69) MAPTNR4A2ALDH1A1KDM4ENPC1
SCHEMBL23551087 0.87 TUBB1 (0.67) MAPTTUBB1NR4A2ALDH1A1KDM4E
SCHEMBL590922 0.84 MAPT (0.73) MAPTTUBB1NR4A2ALDH1A1KDM4E
SCHEMBL30075344 0.84 MAPT (0.73) MAPTTUBB1NR4A2ALDH1A1KDM4E
SCHEMBL12480809 0.83 MAPT (0.71) MAPTTUBB1NR4A2ALDH1A1KDM4E
SCHEMBL31501108 0.82 NR4A2 (0.78) MAPTTUBB1NR4A2ALDH1A1KDM4E
SCHEMBL3660284 0.82 MAPT (0.69) MAPTTUBB1NR4A2ALDH1A1KDM4E
SCHEMBL4236223 0.82 NR4A2 (0.78) MAPTTUBB1NR4A2ALDH1A1KDM4E
SCHEMBL27273111 0.82 MAPT (0.74) MAPTTUBB1NR4A2ALDH1A1KDM4E
SCHEMBL1559335 0.81 MAPT (0.68) MAPTTUBB1NR4A2ALDH1A1KDM4E

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 3 patents. 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
EP-1465880-A1 5-SULPHANYL-4H-1,2,4-TRIAZOLE DERIVATIVES AND THEIR USE AS MEDICINE SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-10-13 EP disclosed
WO-2003045926-A1 5-SULPHANYL-4H-1,2,4-TRIAZOLE DERIVATIVES AND THEIR USE AS MEDICINE SOCIETE DE CONSEILS DE RECHERCHE ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2003-06-05 WO disclosed