SCHEMBL7782901

SCHEMBL7782901

N#Cc1c(-c2ccc(Cl)cc2)[nH]c(S(=O)(=O)c2ccc(Cl)cc2)c1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
CA12 O43570 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
CA1 P00915 1/20 0.37
PTGS2 P35354 7/20 0.36
PTGS1 P23219 2/20 0.36
KDM4E B2RXH2 2/20 0.35
LMNA P02545 2/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
CRHBP P24387 1/20 0.35
HTT P42858 1/20 0.35
CRHR2 Q13324 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL7778327 0.91 CA12 (0.40) ALDH1A1MEN1KMT2ACA12CA2
SCHEMBL7784933 0.88 GRM5 (0.39) ALDH1A1MEN1KMT2APTGS2PTGS1
SCHEMBL9228244 0.78 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL1180120 0.78 DYRK1A (0.43) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL9518605 0.76 DYRK1A (0.39) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL9224754 0.74 VCAM1 (0.37) ALDH1A1MEN1KMT2AMAPK1KDM4E
SCHEMBL12313417 0.74 MAPT (0.43) ALDH1A1MEN1KMT2AMAPK1KDM4E
SCHEMBL22022506 0.72 GRIA2 (0.41) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL13858869 0.70 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL10590908 0.70 PTGS2 (0.47) PTGS2PTGS1

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
EP-0801058-B1 Arylthio, -sulfinyl and -sulfonyl pyrrole insecticidal agents AMERICAN CYANAMID CO (US) 2001-10-10 EP claimed
EP-0801058-A1 Arylthio, -sulfinyl and -sulfonyl pyrrole insecticidal agents American Cyanamid Company (US) 1997-10-15 EP claimed
EP-0801058-B1 Arylthio, -sulfinyl and -sulfonyl pyrrole insecticidal agents AMERICAN CYANAMID CO (US) 2001-10-10 EP disclosed
US-5817691-A Arylthio, -sulfinyl and -sulfonyl pyrrole insecticidal agents AMERICAN CYANAMID COMPANY (US) 1998-10-06 US disclosed
EP-0801058-A1 Arylthio, -sulfinyl and -sulfonyl pyrrole insecticidal agents American Cyanamid Company (US) 1997-10-15 EP disclosed