SCHEMBL9622937

SCHEMBL9622937

Cc1ccc(S(=O)(=O)[O-])cc1.Cc1cccc[n+]1OC(C)C

nearest known ligand 0.40

Known targets — ChEMBL curated mechanism

CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPK1 P28482 1/20 0.36
THPO P40225 1/20 0.36
CNR2 P34972 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
GBA1 P04062 1/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CA12 O43570 2/20 0.33
CA9 Q16790 2/20 0.33
C5AR1 P21730 1/20 0.33
VDR P11473 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL236308 0.84 LMNA (0.45) LMNAHTTSMN1; SMN2GAACYP3A4
SCHEMBL9623239 0.80 LMNA (0.43) LMNAHTTSMN1; SMN2GAACYP3A4
SCHEMBL9500996 0.76 SMN1; SMN2 (0.38) LMNAHTTSMN1; SMN2GAAMAPK1
SCHEMBL5762355 0.75 LMNA (0.51) LMNAHTTSMN1; SMN2GAACYP3A4
SCHEMBL9670125 0.74 LMNA (0.41) LMNAHTTSMN1; SMN2GAACYP3A4
SCHEMBL12038819 0.74 VDR (0.44) LMNAHTTSMN1; SMN2GAACYP3A4
SCHEMBL4463639 0.72 GAA (0.56) LMNASMN1; SMN2GAACYP3A4ALDH1A1
SCHEMBL717113 0.70 LMNA (0.49) LMNAHTTSMN1; SMN2GAACYP3A4
SCHEMBL31753460 0.70 LMNA (0.49) LMNAHTTSMN1; SMN2GAACYP3A4
SCHEMBL9506974 0.70 GAA (0.59) LMNASMN1; SMN2GAACYP3A4CYP2D6

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
EP-0291880-B1 PHOTOPOLYMERISABLE REGISTRATION MATERIALS, PHOTORESIST LAYERS, AND LITHOGRAPHIC-PRINTING PLATES MADE THEREFROM BASF Aktiengesellschaft (DE) 1992-03-25 EP disclosed
EP-0291878-B1 PHOTOPOLYMERISABLE REGISTRATION MATERIALS, PHOTORESIST LAYERS, AND LITHOGRAPHIC-PRINTING PLATES MADE THEREFROM BASF Aktiengesellschaft (DE) 1992-03-11 EP disclosed
EP-0441232-A2 Cationic photopolymerisation process BASF Aktiengesellschaft (DE) 1991-08-14 EP disclosed
EP-0291879-B1 PHOTOPOLYMERISABLE RECORDING MATERIALS AS WELL AS PHOTORESIST LAYERS AND PLANOGRAPHIC PRINTING PLATES ON A BASIS OF THESE RECORDING MATERIALS AS WELL AS QUINAZOLONE-4 COMPOUNDS BASF Aktiengesellschaft (DE) 1990-11-07 EP disclosed
US-4962011-A Photopolymerizable recording materials containing a triazole sensitizer and photoresist layers and lithographic printing plates based thereon BASF AKTIENGESELLSCHAFT (DE) 1990-10-09 US disclosed
US-4908448-A 4-Quinazolone compounds BASF AKTIENGESELLSCHAFT (DE) 1990-03-13 US disclosed
US-4891301-A AS SENSITIZERS BASF AKTIENGESELLSCHAFT (DE) 1990-01-02 US disclosed
EP-0291880-A2 Photopolymerisable registration materials, photoresist layers, and lithographic-printing plates made therefrom BASF Aktiengesellschaft (DE) 1988-11-23 EP disclosed
EP-0291861-A2 Photopolymerisable registration materials, photoresist layers, and lithographic-printing plates made therefrom BASF Aktiengesellschaft (DE) 1988-11-23 EP disclosed
EP-0291879-A1 Photopolymerisable recording materials as well as photoresist layers and planographic printing plates on a basis of these recording materials as well as quinazolone-4 compounds BASF Aktiengesellschaft (DE) 1988-11-23 EP disclosed
EP-0291878-A2 Photopolymerisable registration materials, photoresist layers, and lithographic-printing plates made therefrom BASF Aktiengesellschaft (DE) 1988-11-23 EP disclosed