SCHEMBL8319802

SCHEMBL8319802

CCNC(=O)Cc1cccs1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.72
ALDH1A1 P00352 2/20 0.72
RAB9A P51151 4/20 0.64
SMN1; SMN2 Q16637 2/20 0.63
KDM4E B2RXH2 1/20 0.62
PKM P14618 1/20 0.62
POLB P06746 7/20 0.61
TSHR P16473 1/20 0.61
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
NPC1 O15118 3/20 0.58
ESR1 P03372 1/20 0.56
ALOX15 P16050 1/20 0.56
HTT P42858 1/20 0.56
HSD17B10 Q99714 1/20 0.56

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
SCHEMBL18542949 0.86 ALDH1A1 (0.70) HPGDALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL14045083 0.84 ALDH1A1 (0.56) HPGDALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL10546402 0.84 HPGD (0.70) HPGDALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL11704529 0.84 HPGD (0.74) HPGDALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL28879832 0.83 ALDH1A1 (0.80) HPGDALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL5495002 0.81 HPGD (0.66) HPGDALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL23879885 0.81 HPGD (0.66) HPGDALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL18542950 0.81 HPGD (0.66) HPGDALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL24646014 0.81 HPGD (0.66) HPGDALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL11627330 0.81 HPGD (0.70) HPGDALDH1A1RAB9ASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1592684-B1 MALONAMIDE DERIVATIVES AS GAMMA-SECRETASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-07-30 EP disclosed
US-7375099-B2 secretase inhibitors; therapy for Alzheimer's disease HOFFMANN-LA ROCHE INC. (US) 2008-05-20 US disclosed
US-7375099-B2 secretase inhibitors; therapy for Alzheimer's disease HOFFMANN-LA ROCHE INC. (US) 2008-05-20 US disclosed
WO-2004069826-A1 MALONAMIDE DERIVATIVES AS GAMMA-SECRETASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-19 WO disclosed