SCHEMBL9039049

SCHEMBL9039049

COCCc1nc2ccccc2[nH]1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.66
DDAH1 O94760 1/20 0.61
NPC1 O15118 3/20 0.60
RAB9A P51151 3/20 0.60
LMNA P02545 1/20 0.58
PDE10A Q9Y233 1/20 0.56
CHRM1 P11229 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
MAPT P10636 2/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
HSD17B10 Q99714 1/20 0.55
PKM P14618 1/20 0.54

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
SCHEMBL591955 0.91 POLB (0.58) POLBDDAH1NPC1RAB9ALMNA
SCHEMBL593247 0.91 POLB (0.58) POLBDDAH1NPC1RAB9ALMNA
SCHEMBL230157 0.83 POLB (0.84) POLBDDAH1NPC1RAB9APDE10A
SCHEMBL1918882 0.82 NPC1 (0.67) POLBDDAH1NPC1RAB9ALMNA
SCHEMBL29749508 0.80 DDAH1 (0.72) POLBDDAH1NPC1RAB9APDE10A
SCHEMBL612507 0.80 DDAH1 (0.72) POLBDDAH1NPC1RAB9APDE10A
SCHEMBL8948422 0.80 NPC1 (0.71) POLBNPC1RAB9ALMNAPDE10A
SCHEMBL7078925 0.80 MAPT (0.63) POLBDDAH1NPC1RAB9ALMNA
SCHEMBL6801751 0.80 POLB (0.57) POLBDDAH1NPC1RAB9ALMNA
SCHEMBL7854448 0.80 POLB (0.92) POLBDDAH1NPC1RAB9APDE10A

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-0393574-B1 Hexitol derivatives KYOWA HAKKO KOGYO KK (JP) 1996-01-31 EP disclosed
US-5053408-A Cardiovascular disorders KYOWA HAKKO KOGYO CO., LTD. (JP) 1991-10-01 US disclosed
EP-0393574-A2 Hexitol derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1990-10-24 EP disclosed