SCHEMBL13593176

SCHEMBL13593176

O=C(OCl)c1cc2c(Cl)c(F)ccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.55
HRH4 Q9H3N8 4/20 0.40
RHEB Q15382 4/20 0.39
FLT3 P36888 3/20 0.38
ALOX15 P16050 1/20 0.38
F7 P08709 1/20 0.37
F3 P13726 1/20 0.37
GRIN1 Q05586 1/20 0.37
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL19332317 0.88 DAO (0.52) DAOHRH4FLT3KDM4EALDH1A1
SCHEMBL30310454 0.88 DAO (0.52) DAOHRH4FLT3KDM4EALDH1A1
SCHEMBL1883225 0.84 ALOX15 (0.58) DAOALOX15KDM4EALDH1A1LMNA
SCHEMBL30193757 0.84 ALOX15 (0.58) DAOALOX15KDM4EALDH1A1LMNA
SCHEMBL6161388 0.84 DAO (0.58) DAORHEBF7F3GRIN1
SCHEMBL29425136 0.84 DAO (0.58) DAORHEBF7F3GRIN1
SCHEMBL30310623 0.83 DAO (0.56) DAOHRH4RHEBFLT3F7
SCHEMBL25758815 0.79 ALOX15 (0.58) DAOHRH4RHEBALOX15KDM4E
SCHEMBL24019771 0.76 ALOX15 (0.58) DAOHRH4ALOX15IDO1TDO2
SCHEMBL9233998 0.74 DAO (0.54) DAORHEBF7F3KDM4E

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-1390029-B1 PHENYLINDOLES FOR THE TREATMENT OF HIV IDENIX CAYMAN LTD (KY) 2009-12-16 EP disclosed