SCHEMBL19002116

SCHEMBL19002116

C=C1CCN(Cc2cnc(C)s2)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
POLB P06746 2/20 0.45
RECQL P46063 3/20 0.44
MAPT P10636 2/20 0.43
KMT2A Q03164 7/20 0.42
MEN1 O00255 5/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
GAA P10253 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PDE2A O00408 1/20 0.40
OGA O60502 1/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL9738718 0.83 SMN1; SMN2 (0.51) ALDH1A1POLBRECQLMAPTKMT2A
SCHEMBL12058781 0.83 POLB (0.52) ALDH1A1POLBRECQLMAPTKMT2A
SCHEMBL6839505 0.81 SMN1; SMN2 (0.54) ALDH1A1POLBRECQLMAPTKMT2A
SCHEMBL13865731 0.81 SMN1; SMN2 (0.54) ALDH1A1POLBRECQLMAPTKMT2A
SCHEMBL10891097 0.80 RECQL (0.50) ALDH1A1POLBRECQLMAPTKMT2A
SCHEMBL470928 0.80 SMN1; SMN2 (0.58) ALDH1A1POLBRECQLMAPTKMT2A
SCHEMBL12431740 0.79 POLB (0.48) ALDH1A1POLBRECQLMAPTKMT2A
SCHEMBL9071079 0.79 ALDH1A1 (0.49) ALDH1A1POLBRECQLMAPTKMT2A
SCHEMBL13865733 0.76 POLB (0.56) ALDH1A1POLBRECQLMAPTKMT2A
SCHEMBL19002132 0.76 OGA (0.47) ALDH1A1POLBKMT2AMEN1KDM4E

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