Sugi Predict

Sugi Predict / Compounds / SCHEMBL6015594

SCHEMBL6015594

SCHEMBL6015594

COc1ccc(-c2ccc(SCc3ccccn3)nn2)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 15/20 1.00
▸ ALDH1A1 P00352 8/20 1.00
▸ MEN1 O00255 3/20 1.00
▸ KMT2A Q03164 3/20 1.00
▸ SMN1; SMN2 Q16637 9/20 0.72
▸ RAB9A P51151 8/20 0.72
▸ NPC1 O15118 7/20 0.72
▸ KDM4E B2RXH2 2/20 0.60
▸ MAPK1 P28482 5/20 0.57
▸ POLB P06746 5/20 0.53
▸ HPGD P15428 1/20 0.53
▸ HTT P42858 2/20 0.53
▸ LMNA P02545 2/20 0.52
▸ NPSR1 Q6W5P4 2/20 0.51
▸ TP53 P04637 2/20 0.51
▸ TDP1 Q9NUW8 2/20 0.51
▸ PKM P14618 1/20 0.51
▸ APEX1 P27695 1/20 0.51
▸ PPARG P37231 1/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.51

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
SCHEMBL6015580 0.80 MAPT (0.66) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6015579 0.78 NPC1 (1.00) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6015577 0.78 NPC1 (1.00) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6015586 0.76 MAPT (0.62) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL14778649 0.74 MAPT (0.58) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5797361 0.72 MEN1 (0.56) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL29496946 0.72 MEN1 (0.56) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5510570 0.71 MAPT (0.62) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL11158098 0.71 RAB9A (0.55) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4030804 0.69 ALDH1A1 (0.52) MAPTALDH1A1MEN1KMT2ASMN1; SMN2

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 9 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-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
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