SCHEMBL19002132

SCHEMBL19002132

C/C=C(\C)C=C1CCN(Cc2cnc(C)s2)CC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OGA O60502 17/20 0.47
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.42

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
SCHEMBL19002116 0.76 ALDH1A1 (0.46) OGAALDH1A1KDM4EMEN1NPC1
SCHEMBL12058781 0.75 POLB (0.52) ALDH1A1KDM4EMEN1NPC1RAB9A
SCHEMBL9738718 0.75 SMN1; SMN2 (0.51) ALDH1A1KDM4EMEN1NPC1RAB9A
SCHEMBL9071079 0.74 ALDH1A1 (0.49) ALDH1A1KDM4EMEN1NPC1RAB9A
SCHEMBL6839505 0.74 SMN1; SMN2 (0.54) ALDH1A1KDM4EMEN1NPC1RAB9A
SCHEMBL13865731 0.74 SMN1; SMN2 (0.54) ALDH1A1KDM4EMEN1NPC1RAB9A
SCHEMBL10891097 0.72 RECQL (0.50) ALDH1A1KDM4EMEN1NPC1RAB9A
SCHEMBL470928 0.72 SMN1; SMN2 (0.58) OGAALDH1A1KDM4EMEN1NPC1
SCHEMBL12431740 0.71 POLB (0.48) ALDH1A1KDM4EMEN1NPC1RAB9A
SCHEMBL22957185 0.71 OGA (0.67) OGA

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
WO-2017106254-A1 GLYCOSIDASE INHIBITORS AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2017-06-22 WO disclosed