SCHEMBL8567994

SCHEMBL8567994

COc1cc2scnc2cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.44
PGK1 P00558 4/20 0.41
GSK3B P49841 1/20 0.41
MAP4K2 Q12851 1/20 0.41
GAA P10253 1/20 0.40
GLRA3 O75311 1/20 0.38
GLRB P48167 1/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
KDM4E B2RXH2 1/20 0.38
PMM2 O15305 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
G6PD P11413 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
HK1 P19367 1/20 0.38
MPI P34949 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38

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
SCHEMBL30702433 0.85 PTK6 (0.41) NPC1PGK1GLRA3GLRBKMT2A
SCHEMBL927420 0.85 PTK6 (0.41) NPC1PGK1GLRA3GLRBKMT2A
SCHEMBL9117566 0.80 P2RX7 (0.40) NPC1GLRA3GLRBKMT2AMEN1
SCHEMBL11226829 0.79 PTK6 (0.46) NPC1GLRA3GLRBKMT2AMEN1
SCHEMBL29534681 0.79 PTK6 (0.46) NPC1GLRA3GLRBKMT2AMEN1
SCHEMBL7597205 0.78 ALDH1A1 (0.43) NPC1GAAKMT2AMEN1KDM4E
SCHEMBL29414890 0.78 ALDH1A1 (0.43) NPC1GAAKMT2AMEN1KDM4E
SCHEMBL5080801 0.76 PTK6 (0.39) NPC1GLRA3GLRBKMT2AMEN1
SCHEMBL2092636 0.76 LMNA (0.43) NPC1GSK3BGAAGLRA3GLRB
SCHEMBL9116930 0.76 ALOX15 (0.56) NPC1GAAKMT2AMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998000756-A1 SILVER HALIDE EMULSIONS POLAROID CORPORATION (US) 1998-01-08 WO disclosed
US-5601963-A SILVER GRAINS HAVE BEEN SPECTRALLY SENSITIZED TO NEAR INFRARED RADIATION AT WAVELENGTHS ABOVE 700 NM WITH A PARTICULAR CLASS OF CYANINE DYES POLAROID CORPORATION (US) 1997-02-11 US disclosed
EP-0222970-B1 SULPHOALKYLATION PROCESS Agfa-Gevaert AG (DE) 1990-10-24 EP disclosed
US-4883880-A Process for the preparation of sulfoalkyl quaternary salts and for the production of alkane sultones AGFA-GEVAERT AKTIENGESSELLSCHAFT (DE) 1989-11-28 US disclosed
EP-0222970-A1 Sulphoalkylation process Agfa-Gevaert AG (DE) 1987-05-27 EP disclosed
US-4539408-A Process for the preparation of sulphoalkyl quaternary salts AGFA-GEVAERT AKTIENGESELLSCHAFT (DE) 1985-09-03 US disclosed
US-4504668-A Process for the preparation of N-sulfoalkyl quaternary salts of nitrogen heterocyclics AGFA-GEVAERT AKTIENGESELLSCHAFT (DE) 1985-03-12 US disclosed
EP-0064667-B1 PROCESS FOR THE PREPARATION OF SULFOALKYL QUATERNARY SALTS Agfa-Gevaert AG (DE) 1984-11-28 EP disclosed
EP-0055428-B1 BIS-(3-SULFOPROPYL)ETHERS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ALKYLATING AGENTS FOR ORGANIC BASES Agfa-Gevaert AG (DE) 1984-03-14 EP disclosed
EP-0034279-B1 SULFOALKYLATING AGENTS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THE MANUFACTURE OF QUANTERNARY SULFOALKYL SALTS Agfa-Gevaert AG (DE) 1983-06-22 EP disclosed
EP-0064667-A1 Process for the preparation of sulfoalkyl quaternary salts Agfa-Gevaert AG (DE) 1982-11-17 EP disclosed
EP-0055428-A1 Bis-(3-sulfopropyl)ethers, process for their preparation and their use as alkylating agents for organic bases Agfa-Gevaert AG (DE) 1982-07-07 EP disclosed
US-4308390-A Process for the production of sulphoalkyl quaternary salts AGFA-GEVAERT AKTIENGESELLSCHAFT (DE) 1981-12-29 US disclosed
EP-0034279-A2 Sulfoalkylating agents, process for their preparation and their use in the manufacture of quanternary sulfoalkyl salts Agfa-Gevaert AG (DE) 1981-08-26 EP disclosed