SCHEMBL6015586

SCHEMBL6015586

c1ccc(CSc2ccc(-c3ccc4c(c3)OCCO4)nn2)nc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 15/20 0.62
RAB9A P51151 12/20 0.62
NPC1 O15118 9/20 0.62
SMN1; SMN2 Q16637 9/20 0.62
ALDH1A1 P00352 5/20 0.61
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
KDM4E B2RXH2 1/20 0.58
LMNA P02545 3/20 0.58
MAPK1 P28482 1/20 0.56
HPGD P15428 1/20 0.54
GAA P10253 1/20 0.53
HTT P42858 1/20 0.52
RXFP1 Q9HBX9 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL14778209 0.79 RAB9A (0.88) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL6015577 0.77 NPC1 (1.00) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL6015594 0.76 MAPT (1.00) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL6015579 0.75 NPC1 (1.00) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL21451444 0.73 NPC1 (0.56) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL14778249 0.70 RAB9A (0.52) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL23440049 0.70 MAPT (0.79) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL6015593 0.70 DYRK1A (0.46) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL5510570 0.68 MAPT (0.62) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL10533789 0.68 NPC1 (0.66) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8968708-B2 Compounds comprising linked heteroaryl moieties and their use as novel umami flavor modifiers, tastants and taste enhancers for comestible compositions SENOMYX, INC. (US) 2015-03-03 US disclosed
US-8968708-B2 Compounds comprising linked heteroaryl moieties and their use as novel umami flavor modifiers, tastants and taste enhancers for comestible compositions SENOMYX, INC. (US) 2015-03-03 US disclosed
US-8784782-B2 Compounds comprising linked heteroaryl moieties and their use as novel umami flavor modifiers, tastants and taste enhancers for comestible compositions SENOMYX, INC. (US) 2014-07-22 US disclosed
US-8784782-B2 Compounds comprising linked heteroaryl moieties and their use as novel umami flavor modifiers, tastants and taste enhancers for comestible compositions SENOMYX, INC. (US) 2014-07-22 US disclosed
US-20130071536-A1 COMPOUNDS COMPRISING LINKED HETEROARYL MOIETIES AND THEIR USE AS NOVEL UMAMI FLAVOR MODIFIERS, TASTANTS AND TASTE ENHANCERS FOR COMESTIBLE COMPOSITIONS SENOMYX, INC. (US) 2013-03-21 US disclosed
US-20130071536-A1 COMPOUNDS COMPRISING LINKED HETEROARYL MOIETIES AND THEIR USE AS NOVEL UMAMI FLAVOR MODIFIERS, TASTANTS AND TASTE ENHANCERS FOR COMESTIBLE COMPOSITIONS SENOMYX, INC. (US) 2013-03-21 US disclosed
WO-2012054526-A2 CHEMOSENSORY RECEPTOR LIGAND-BASED THERAPIES ELCELYX THERAPEUTICS, INC. (US) 2012-04-26 WO disclosed