SCHEMBL8896790

SCHEMBL8896790

CCOC(=O)/C=N\OCc1csc(N)n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.43
GABRA5 P31644 1/20 0.42
GABRB2 P47870 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TSHR P16473 2/20 0.40
HTT P42858 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL8896803 1.00 NPC1 (0.47) NPC1RAB9AALDH1A1MAPTMEN1
SCHEMBL9600369 0.88 SMN1; SMN2 (0.45) NPC1RAB9AALDH1A1MAPTMEN1
SCHEMBL4824847 0.82 GABRA5 (0.47) NPC1RAB9AALDH1A1MAPTMEN1
SCHEMBL3999942 0.82 GABRA5 (0.51) NPC1RAB9AALDH1A1MAPTMEN1
SCHEMBL2789164 0.82 GABRA5 (0.51) NPC1RAB9AALDH1A1MAPTMEN1
SCHEMBL8768619 0.82 GABRA5 (0.38) NPC1RAB9AALDH1A1MAPTMEN1
Hydrochloric Acid SCHEMBL8913011 0.81 GABRA5 (0.50) NPC1RAB9AALDH1A1MAPTMEN1
SCHEMBL8378561 0.79 ALDH1A1 (0.49) NPC1RAB9AALDH1A1MAPTMEN1
SCHEMBL8378557 0.79 ALDH1A1 (0.49) NPC1RAB9AALDH1A1MAPTMEN1
SCHEMBL8723035 0.72 MAPT (0.44) NPC1RAB9AALDH1A1MAPTSMN1; SMN2

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
EP-0497978-B1 CEPHALOSPORIN COMPOUNDS AND PRODUCTION THEREOF KYOTO PHARMA IND (JP) 1997-04-16 EP disclosed
US-5389625-A Sweet taste; oral administering KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1995-02-14 US disclosed
EP-0497978-A1 CEPHALOSPORIN COMPOUNDS AND PRODUCTION THEREOF Kyoto Pharmaceutical Industries, Ltd. (JP) 1992-08-12 EP disclosed