SCHEMBL9739282

SCHEMBL9739282

CCCCOC(=O)Cc1c(N)n[nH]c1-c1ccc(OC)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.57
MAPK10 P53779 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
MAPT P10636 3/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MIF P14174 1/20 0.44
ALPL P05186 1/20 0.41
NPC1 O15118 3/20 0.40
PTGS2 P35354 2/20 0.40
RAB9A P51151 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HSD17B10 Q99714 2/20 0.39
LMNA P02545 2/20 0.39
CCNB2 O95067 1/20 0.38
CDK1 P06493 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
SCHEMBL9714958 0.90 SMN1; SMN2 (0.46) HTTMAPK10SMN1; SMN2MAPTALDH1A1
SCHEMBL9714927 0.89 RAB9A (0.44) HTTMAPK10SMN1; SMN2ALDH1A1KDM4E
SCHEMBL9714945 0.88 HSD17B10 (0.46) HTTMAPK10SMN1; SMN2ALDH1A1KDM4E
SCHEMBL4208809 0.79 HTT (0.59) HTTMAPK10SMN1; SMN2MAPTALDH1A1
Hydrochloric Acid SCHEMBL9715094 0.75 LMNA (0.53) HTTMAPK10SMN1; SMN2ALDH1A1KDM4E
SCHEMBL9714924 0.74 HSD17B10 (0.41) HTTMAPK10SMN1; SMN2MAPTALDH1A1
Hydrochloric Acid SCHEMBL9714991 0.73 HSD17B10 (0.40) HTTMAPK10SMN1; SMN2MAPTALDH1A1
SCHEMBL9715038 0.73 L3MBTL1 (0.43) SMN1; SMN2ALDH1A1KDM4EPTGS2RAB9A
Hydrochloric Acid SCHEMBL9714943 0.73 L3MBTL1 (0.45) SMN1; SMN2ALDH1A1KDM4EPTGS2RAB9A
SCHEMBL9714952 0.72 LMNA (0.45) MAPTALDH1A1KDM4EMEN1KMT2A

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
US-5114944-A Anxiolytic and anticonvulsant agents; muscle relaxants A. H. ROBINS COMPANY INCORPORATED (US) 1992-05-19 US disclosed