SCHEMBL8830971

SCHEMBL8830971

O=C1C=CC=CN(Cc2ccccc2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 4/20 0.43
GSK3B P49841 4/20 0.43
MGLL Q99685 1/20 0.43
F2 P00734 1/20 0.41
PLG P00747 1/20 0.41
ELANE P08246 1/20 0.41
CTSG P08311 1/20 0.41
CMA1 P23946 1/20 0.41
CTRC Q99895 1/20 0.41
GAA P10253 2/20 0.40
ALDH1A1 P00352 5/20 0.39
MAPT P10636 3/20 0.39
HPGD P15428 2/20 0.39
G6PD P11413 1/20 0.39
PKM P14618 1/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SIGMAR1 Q99720 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
SCHEMBL27725044 0.87 GSK3A (0.47) GSK3AGSK3BMGLLF2PLG
SCHEMBL27365424 0.71 SLC6A2 (0.37) GSK3AGSK3BMGLLGAAALDH1A1
SCHEMBL5671275 0.71 SIGMAR1 (0.43) GSK3AGSK3BMGLLF2PLG
SCHEMBL17126135 0.70 LMNA (0.41) F2PLGELANECTSGCMA1
SCHEMBL4726227 0.70 SIGMAR1 (0.39) MGLLALDH1A1HTTSIGMAR1KMT2A
SCHEMBL5608438 0.70 SIGMAR1 (0.39) F2PLGELANECTSGCMA1
SCHEMBL28907131 0.70 ALDH1A1 (0.40) MGLLALDH1A1HPGDHTTMEN1
SCHEMBL9381196 0.70 ELANE (0.42) GSK3AGSK3BMGLLF2PLG
SCHEMBL2805436 0.70 CCR2 (0.39) GAAALDH1A1HPGDPKMSIGMAR1
SCHEMBL28954037 0.69 SIGMAR1 (0.42) GSK3AGSK3BMGLLF2PLG

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-5627169-A Selective antagonists for GABArho receptor THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-05-06 US disclosed