SCHEMBL10354572

SCHEMBL10354572

Cn1cnc2cc(S(=O)(=O)N3CCCC3)ccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.55
KDM4E B2RXH2 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
TSHR P16473 2/20 0.54
PKM P14618 2/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
LMNA P02545 2/20 0.54
POLB P06746 2/20 0.53
HTT P42858 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
GLRA3 O75311 1/20 0.53
GLRB P48167 1/20 0.53
KDM2B Q8NHM5 1/20 0.53
GAA P10253 1/20 0.51
ALDH1A1 P00352 3/20 0.49
USP2 O75604 1/20 0.49
RECQL P46063 2/20 0.47
THRB P10828 1/20 0.47
CYP1A2 P05177 1/20 0.47

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
SCHEMBL5339617 0.80 ALDH1A1 (0.51) HSD17B10KDM4EKMT2ASMN1; SMN2LMNA
SCHEMBL16639774 0.78 NAMPT (0.63) KDM4EMEN1KMT2AL3MBTL1GAA
SCHEMBL5343737 0.77 ALDH1A1 (0.48) HSD17B10KDM4EKMT2ASMN1; SMN2LMNA
SCHEMBL29910147 0.77 CA12 (0.52) HSD17B10KDM4EKMT2ASMN1; SMN2LMNA
SCHEMBL10953522 0.76 SMN1; SMN2 (0.70) HSD17B10KDM4EMEN1KMT2ATSHR
SCHEMBL24904273 0.75 GRM5 (0.49) HSD17B10KDM4EKMT2ASMN1; SMN2LMNA
SCHEMBL25237069 0.74 CHRM5 (0.69) CYP3A4
SCHEMBL25669884 0.74 SMN1; SMN2 (0.52) KMT2ASMN1; SMN2LMNAPOLBHTT
Pyrrole SCHEMBL10572488 0.73 HDAC1 (0.47) KDM4EKMT2ASMN1; SMN2GLRA3GLRB
SCHEMBL13015579 0.70 KDM4E (0.60) HSD17B10KDM4EMEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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