SCHEMBL7656282

SCHEMBL7656282

Cc1ccccc1-c1nn(-c2ccccc2)c(=O)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.44
ALDH1A1 P00352 2/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.43
HIF1A Q16665 1/20 0.43
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ADORA3 P0DMS8 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
GAA P10253 1/20 0.40
PARP1 P09874 1/20 0.40
DCTPP1 Q9H773 1/20 0.39
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL7652914 0.81 LMNA (0.46) HPGDALDH1A1SMN1; SMN2HSD17B10MAPK1
SCHEMBL8343433 0.79 ATM (0.47) HPGDALDH1A1RAB9ANPC1HTT
SCHEMBL7650664 0.78 ADORA3 (0.44) HPGDALDH1A1RAB9ANPC1HTT
SCHEMBL7652506 0.78 TNKS (0.50) HPGDALDH1A1RAB9ANPC1HTT
SCHEMBL3170478 0.76 MAPK1 (0.47) HPGDALDH1A1RAB9AHTTSMN1; SMN2
SCHEMBL7652937 0.75 TNKS (0.47) HPGDALDH1A1RAB9ANPC1HTT
SCHEMBL15871236 0.73 HPGD (0.56) HPGDALDH1A1HTTSMN1; SMN2HSD17B10
SCHEMBL7656228 0.73 ALDH1A1 (0.49) HPGDALDH1A1SMN1; SMN2HSD17B10KDM4E
SCHEMBL7660378 0.72 ALDH1A1 (0.53) HPGDALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL7652867 0.72 ALDH1A1 (0.48) ALDH1A1HTTHSD17B10KDM4EMAPT

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-6492407-B2 NEUROPROTECTIVE ACTIVITY BOEHRINGER IMGELHEIM PHARMA KG (DE) 2002-12-10 US disclosed