SCHEMBL11334754

SCHEMBL11334754

O=Cc1cccn1Cc1cccs1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
HTT P42858 2/20 0.40
TRIM24 O15164 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TSHR P16473 3/20 0.37
KDM4E B2RXH2 1/20 0.37
DRD4 P21917 2/20 0.37
DRD5 P21918 1/20 0.37
DRD3 P35462 1/20 0.36
ATM Q13315 1/20 0.36
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35

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
SCHEMBL13120839 0.73 ALDH1A1 (0.41) ALDH1A1HTTMEN1MAPTKMT2A
SCHEMBL16347227 0.72 HTT (0.42) ALDH1A1HTTMEN1MAPTKMT2A
SCHEMBL924028 0.72 TSHR (0.54) ALDH1A1HTTMEN1MAPTKMT2A
SCHEMBL9022900 0.72 CYP2C19 (0.49) ALDH1A1HTTHSD17B10TSHRDRD4
SCHEMBL17140101 0.72 MEN1 (0.40) ALDH1A1HTTMEN1MAPTKMT2A
SCHEMBL1244152 0.72 ALDH1A1 (0.55) ALDH1A1HTTTRIM24TRIM33MAPT
SCHEMBL25753482 0.71 ALDH1A1 (0.48) ALDH1A1HTTTRIM24TRIM33KDM4E
SCHEMBL11326618 0.71 CYP2C19 (0.45) ALDH1A1HTTMEN1MAPTKMT2A
SCHEMBL28469757 0.70 ALDH1A1 (0.54) ALDH1A1HTTTRIM24TRIM33MAPT
SCHEMBL9400665 0.70 VEGFA (0.56) ALDH1A1HTTTRIM24TRIM33MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4303689-A Flavoring with pyrazine derivatives FIRMENICH SA (CH) 1981-12-01 US disclosed
US-4138410-A Flavoring agent FIRMENICH & CIE (CH) 1979-02-06 US disclosed
US-4126618-A FLAVOR ADDITIVES FOR FOODS AND BEVERAGES FIRMENICH & CIE (CH) 1978-11-21 US disclosed
US-4085109-A Pyridine sulfur flavoring agents FIRMENICH & CIE (CH) 1978-04-18 US disclosed
US-3989713-A Pyrrylmethylthio flavoring agents FIRMENICH & CIE (CH) 1976-11-02 US disclosed
US-3952026-A FLAVOR ADDITIVE FOR FOODS AND BEVERAGES FIRMENICH & CIE (CH) 1976-04-20 US disclosed
US-3952024-A FLAVOR ADDITIVE FOR FOODS AND BEVERAGES FIRMENICH & CIE (CH) 1976-04-20 US disclosed
US-3943260-A TETRAHYDRO-THIO-PHEN-3-ONES FIRMENICH & CIE (CH) 1976-03-09 US disclosed
US-3931245-A FURYLALKYLTHIOL CARBOXYLATES FIRMENICH & CIE (CH) 1976-01-06 US disclosed
US-3931246-A FURYLALKYL-THIOETHERS FIRMENICH & CIE (CH) 1976-01-06 US disclosed
US-3931166-A FLAVORANTS FIRMENICH & CIE (CH) 1976-01-06 US disclosed