SCHEMBL9360635

SCHEMBL9360635

O=Cc1ncccc1CSc1ccc2cc(O)c(O)cc2c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.38
ERN1 O75460 2/20 0.37
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
DAO P14920 5/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
STAT3 P40763 1/20 0.32
EGFR P00533 1/20 0.31
ERBB2 P04626 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
HSP90AA1 P07900 1/20 0.31
IDO1 P14902 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MIF P14174 1/20 0.31

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
SCHEMBL9360309 0.82 DAO (0.35) ERN1ALDH1A1GAADAOLMNA
SCHEMBL9360622 0.81 BRD4 (0.39) BRD4ALDH1A1GAADAOMEN1
SCHEMBL9360323 0.72 DAO (0.56) ALDH1A1DAOLMNAKDM4ENPC1
SCHEMBL9364587 0.72 ALDH1A1 (0.32) ALDH1A1GAAEGFRERBB2KDM4E
SCHEMBL9360293 0.68 KMT2A (0.38) ALDH1A1MEN1KMT2ALMNANPC1
SCHEMBL3296819 0.67 KDM4E (0.42) ERN1ALDH1A1GAANPSR1MEN1
SCHEMBL9360303 0.67 IGFBP3 (0.36) ALDH1A1GAADAOLMNASTAT3
SCHEMBL9360179 0.67 MAOA (0.51) ALDH1A1GAADAOKDM4ENPC1
SCHEMBL9360229 0.66 DAO (0.54) DAOLMNASTAT3EGFRIDO1
SCHEMBL9364553 0.66 ANPEP (0.43) ALDH1A1GAAMEN1KMT2ALMNA

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-0419676-B1 THIONAPHTHALENE DERIVATIVES, METHOD OF PRODUCING THE SAME, AND ANTIALLERGIC AGENT CONTAINING THE SAME TEIJIN LTD (JP) 1994-12-07 EP disclosed
EP-0419676-A1 THIONAPHTHALENE DERIVATIVES, METHOD OF PRODUCING THE SAME, AND ANTIALLERGIC AGENT CONTAINING THE SAME TEIJIN LIMITED (JP) 1991-04-03 EP disclosed