SCHEMBL301724

SCHEMBL301724

CSCCc1cnccn1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.33
KDM4E B2RXH2 2/20 0.33
CYP1A2 P05177 2/20 0.33
DAO P14920 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
XDH P47989 1/20 0.32
TXNRD1 Q16881 1/20 0.32
HRH1 P35367 4/20 0.32
CYP2D6 P10635 3/20 0.32
CHRM1 P11229 1/20 0.32
HTR2A P28223 1/20 0.32
KCNH2 Q12809 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL29738644 0.81 DAO (0.36) HSP90AA1KDM4ECYP1A2DAOHDAC3
SCHEMBL6129989 0.80 DAO (0.34) HSP90AA1KDM4ECYP1A2DAOHDAC3
SCHEMBL891370 0.78
SCHEMBL23120101 0.77 ALDH1A1 (0.33) KDM4EDAOCYP3A4HRH1CYP2D6
SCHEMBL30390174 0.76
SCHEMBL309452 0.76
SCHEMBL28362525 0.75 HSP90AA1 (0.40) HSP90AA1KDM4ECYP1A2DAOHDAC3
Ethane SCHEMBL28701355 0.74 CYP3A4 (0.39) HSP90AA1KDM4ECYP1A2HDAC3HDAC1
SCHEMBL21408568 0.73 DAO (0.38) KDM4EDAOHDAC3HDAC1HDAC2
SCHEMBL21408565 0.73 DAO (0.38) KDM4EDAOHDAC3HDAC1HDAC2

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230161255-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-25 US disclosed
US-20230161255-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-25 US disclosed
US-20230161252-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-25 US disclosed
US-20230161252-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-25 US disclosed
EP-2976347-B1 METAL-BASED COORDINATION COMPLEXES AS PHOTODYNAMIC COMPOUNDS AND THEIR USE MCFARLAND SHERRI ANN (US) 2022-01-19 EP disclosed
WO-2021031984-A1 CARBOXYLIC ACID OXIME ESTER COMPOUND AND USE THEREOF 沈阳中化农药化工研发有限公司 2021-02-25 WO disclosed
EP-2404647-B1 Method for extracting organic compounds from granulated cork DARTES KRUP S L (ES) 2013-03-27 EP disclosed
EP-1216123-B2 METHOD FOR TREATING CORK AND EXTRACTING ORGANIC COMPOUNDS FROM CORK, WITH A DENSE FLUID UNDER PRESSURE COMMISSARIAT ENERGIE ATOMIQUE (FR) 2012-04-25 EP disclosed
EP-2033751-B1 Method of treating cork or a cork-based material using an inert gas under a pressure strictly lower than 1 MPa. DIAM BOUCHAGE (FR) 2012-02-01 EP disclosed
EP-2404647-A1 Method for extracting organic compounds from granulated cork Dartes Krup, S.L. (ES) 2012-01-11 EP disclosed
US-4126618-A FLAVOR ADDITIVES FOR FOODS AND BEVERAGES FIRMENICH & CIE (CH) 1978-11-21 US disclosed
US-4105661-A FLAVORANTS FIRMENICH & CIE (CH) 1978-08-08 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-3952024-A FLAVOR ADDITIVE FOR FOODS AND BEVERAGES FIRMENICH & CIE (CH) 1976-04-20 US disclosed
US-3952026-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-3931166-A FLAVORANTS FIRMENICH & CIE (CH) 1976-01-06 US disclosed
US-3931246-A FURYLALKYL-THIOETHERS FIRMENICH & CIE (CH) 1976-01-06 US disclosed
US-3931245-A FURYLALKYLTHIOL CARBOXYLATES FIRMENICH & CIE (CH) 1976-01-06 US disclosed