SCHEMBL4714622

SCHEMBL4714622

CCCCCCCCCCCCNS(=O)(=O)c1ccc(C[N]Cc2ccccc2)s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
HTT P42858 2/20 0.56
RECQL P46063 1/20 0.45
ALDH1A1 P00352 6/20 0.44
LMNA P02545 2/20 0.44
TP53 P04637 2/20 0.44
MAPT P10636 1/20 0.44
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41
EPHX2 P34913 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL4025020 0.90 TSHR (0.49) TSHRSMN1; SMN2MEN1KMT2AHTT
SCHEMBL4711870 0.89 HTT (0.52) TSHRSMN1; SMN2MEN1KMT2AHTT
SCHEMBL4019037 0.88 HTT (0.51) TSHRSMN1; SMN2MEN1KMT2AHTT
SCHEMBL1853562 0.87 KMT2A (0.50) TSHRSMN1; SMN2MEN1KMT2AHTT
SCHEMBL4715831 0.86 TSHR (0.60) TSHRSMN1; SMN2MEN1KMT2AHTT
SCHEMBL4714646 0.84 TSHR (0.47) TSHRSMN1; SMN2MEN1KMT2AHTT
SCHEMBL4717987 0.84 TSHR (0.47) TSHRSMN1; SMN2MEN1KMT2AHTT
SCHEMBL1856043 0.83 SMN1; SMN2 (0.56) TSHRSMN1; SMN2MEN1KMT2AHTT
SCHEMBL5048888 0.83 SMN1; SMN2 (0.53) TSHRSMN1; SMN2MEN1KMT2AHTT
SCHEMBL4715407 0.81 SMN1; SMN2 (0.69) TSHRSMN1; SMN2MEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1470102-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-10-27 EP claimed
WO-2003064376-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-08-07 WO claimed
EP-1986637-A1 SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS Laboratoires Serono SA (CH) 2008-11-05 EP disclosed
WO-2007093557-A1 SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS LABORATOIRES SERONO S.A. (CH) 2007-08-23 WO disclosed
EP-1470102-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-10-27 EP disclosed
WO-2003064376-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-08-07 WO disclosed