SCHEMBL18184673

SCHEMBL18184673

CCC(=O)c1ccc2nccnc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.51
MAPT P10636 5/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
GAA P10253 1/20 0.51
NPC1 O15118 7/20 0.50
ALDH1A1 P00352 4/20 0.50
HPGD P15428 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
PKM P14618 1/20 0.50
AHR P35869 1/20 0.49
POLB P06746 3/20 0.47
TP53 P04637 1/20 0.47
KDM4E B2RXH2 2/20 0.46
HTT P42858 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
NFKB1 P19838 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL4402960 0.80 ALOX15 (0.63) RAB9AMAPTSMN1; SMN2GAANPC1
SCHEMBL4404496 0.80 ALDH1A1 (0.54) RAB9ASMN1; SMN2NPC1ALDH1A1MEN1
SCHEMBL3595259 0.79 MAPT (0.54) RAB9AMAPTSMN1; SMN2GAANPC1
SCHEMBL1644064 0.79 NPC1 (0.54) RAB9AMAPTSMN1; SMN2GAANPC1
SCHEMBL30134133 0.79 NPC1 (0.54) RAB9AMAPTSMN1; SMN2GAANPC1
SCHEMBL27293915 0.78 MAPT (0.56) RAB9AMAPTSMN1; SMN2GAANPC1
SCHEMBL13614180 0.77 MEN1 (0.66) RAB9AMAPTSMN1; SMN2GAANPC1
SCHEMBL10746855 0.77 MAPT (0.62) RAB9AMAPTSMN1; SMN2GAANPC1
SCHEMBL15069589 0.76 NPC1 (0.50) RAB9AMAPTSMN1; SMN2GAANPC1
SCHEMBL12201007 0.76 ADORA3 (0.50) RAB9AMAPTSMN1; SMN2GAANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110300752-A Monocycle OGA inhibitor compound 詹森药业有限公司 2019-10-01 CN disclosed
CN-110267961-A OGA inhibitor compound 詹森药业有限公司 2019-09-20 CN disclosed
WO-2016172631-A2 SUBSTRATE SELECTIVE INHIBITORS OF INSULIN-DEGRADING ENZYME (IDE) AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-10-27 WO disclosed