SCHEMBL11697014

SCHEMBL11697014

COc1cccc(N2CCS(=O)(=O)CC2)c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.61
FAAH O00519 8/20 0.58
MAPT P10636 2/20 0.56
NPC1 O15118 1/20 0.56
KCNH2 Q12809 2/20 0.55
DRD2 P14416 1/20 0.55
MEN1 O00255 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
SLC6A9 P48067 1/20 0.50
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL11074672 0.84 ADRB1 (0.76) ADRB1MAPTNPC1KCNH2DRD2
SCHEMBL1266990 0.81 ADRB1 (0.67) ADRB1MAPTNPC1KCNH2DRD2
SCHEMBL1372927 0.81 KCNH2 (0.69) ADRB1MAPTNPC1KCNH2DRD2
SCHEMBL9888730 0.81 ALDH1A1 (0.61) ADRB1FAAHMAPTNPC1DRD2
SCHEMBL23675047 0.80 ADRB1 (0.71) ADRB1MAPTNPC1KCNH2DRD2
SCHEMBL30255158 0.80 ADRB1 (0.71) ADRB1MAPTNPC1KCNH2DRD2
SCHEMBL3051915 0.80 ADRB1 (0.71) ADRB1MAPTNPC1KCNH2DRD2
SCHEMBL10053476 0.79 ADRB1 (0.59) ADRB1FAAHMAPTKCNH2ALDH1A1
SCHEMBL3035322 0.79 ADRB1 (0.69) ADRB1MAPTNPC1KCNH2DRD2
SCHEMBL19212406 0.79 ADRB1 (0.69) ADRB1MAPTNPC1KCNH2DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8828641-B2 Chemically amplified resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-09-09 US disclosed
US-8828641-B2 Chemically amplified resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-09-09 US disclosed
US-20110129777-A1 CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-06-02 US disclosed
US-20110129777-A1 CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-06-02 US disclosed
US-4006127-A Cationic diazacyanine dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-02-01 US disclosed