SCHEMBL19981272

SCHEMBL19981272

C=N/C(=N\OCCNS(=O)(=O)N1CCOCC1)c1cnccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
PKM P14618 1/20 0.39
MAPT P10636 2/20 0.37
HTT P42858 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
NPY5R Q15761 1/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TBXA2R P21731 2/20 0.33
TBXAS1 P24557 2/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33

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
SCHEMBL19984805 0.60 NPY5R (0.37) POLBPKMMAPTNPY5RALDH1A1
Morinamide SCHEMBL2270538 0.60 GFER (0.66) POLBPKMMAPTNPC1RAB9A
SCHEMBL29834822 0.59 SMN1; SMN2 (0.55) NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL26922576 0.59 SMN1; SMN2 (0.55) NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL2217005 0.59 SMN1; SMN2 (0.56) POLBNPC1RAB9AHSD17B10CYP1A2
SCHEMBL17327625 0.58 TDP1 (0.38) POLBMAPTNPC1NPY5RL3MBTL1
SCHEMBL21722397 0.58 NPC1 (0.50) POLBPKMMAPTHTTNPC1
Morinamide SCHEMBL29464523 0.58 GFER (0.67) POLBPKMMAPTNPC1RAB9A
Morinamide SCHEMBL563960 0.58 GFER (0.67) POLBPKMMAPTNPC1RAB9A
SCHEMBL16508792 0.58 CA12 (0.45) POLBHTTNPY5RTSHRL3MBTL1

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-2018051254-A1 CYCLIC SUBSTITUTED-1,2,4-OXADIAZOLE COMPOUNDS AS IMMUNOMODULATORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-03-22 WO disclosed