SCHEMBL9623239

SCHEMBL9623239

CCO[n+]1ccccc1C.Cc1ccc(S(=O)(=O)[O-])cc1

nearest known ligand 0.43

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 6/20 0.43
HTT P42858 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 1/20 0.41
MAPK1 P28482 1/20 0.41
THPO P40225 1/20 0.41
CA12 O43570 1/20 0.37
CYP1A2 P05177 1/20 0.37
ATM Q13315 1/20 0.37
CA9 Q16790 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
RAPGEF4 Q8WZA2 1/20 0.35
CNR2 P34972 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MAPT P10636 1/20 0.34
GAA P10253 2/20 0.34

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; SMN2CYP3A4CYP2D6
SCHEMBL2327075 0.81 NPC1 (0.39) SMN1; SMN2KMT2A
SCHEMBL9622937 0.80 LMNA (0.40) LMNAHTTSMN1; SMN2CYP3A4CYP2D6
Bromide SCHEMBL9623049 0.79 NPC1 (0.42) SMN1; SMN2KMT2A
Iodide SCHEMBL5760651 0.79 NPC1 (0.38) SMN1; SMN2KMT2A
SCHEMBL9622389 0.78 KDM4E (0.41) ALDH1A1KDM4EMAPTGAA
SCHEMBL10700976 0.77 KDM4E (0.40) LMNAHTTMAPK1ALDH1A1KDM4E
SCHEMBL9623269 0.77 KDM4E (0.40) LMNAHTTMAPK1ALDH1A1KDM4E
SCHEMBL9500996 0.76 SMN1; SMN2 (0.38) LMNAHTTSMN1; SMN2MAPK1KMT2A
SCHEMBL9849539 0.76 NPC1 (0.32) SMN1; 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 13 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-4940649-A Photopolymerizable recording materials and photoresist layers and lithographic printing plates based thereon BASF AKTIENGESELLSCHAFT (DE) 1990-07-10 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
US-4886735-A Photopolymerizable recording materials and photoresist layers and lithographic printing plates based thereon BASF AKTIENGESELLSCHAFT (DE) 1989-12-12 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-0291878-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-0291861-A2 Photopolymerisable registration materials, photoresist layers, and lithographic-printing plates made therefrom BASF Aktiengesellschaft (DE) 1988-11-23 EP disclosed