SCHEMBL7756722

SCHEMBL7756722

CN1C[S+]([O-])c2cc(CCN3CCN(Cc4ccc(Cl)cc4Cl)CC3)ccc21

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.53
KDM4E B2RXH2 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
CYP2A13 Q16696 1/20 0.46
MAPT P10636 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
CHKA P35790 1/20 0.40
MAOA P21397 1/20 0.38
MAOB P27338 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
SCHEMBL9232860 0.93 SIGMAR1 (0.55) SIGMAR1KDM4ETDP1ALDH1A1POLB
SCHEMBL7756765 0.84 SIGMAR1 (0.58) SIGMAR1POLBCYP1A2CYP2D6TMEM97
SCHEMBL7759823 0.82 SIGMAR1 (0.48) SIGMAR1POLB
Hydrochloric Acid SCHEMBL9514659 0.78 SIGMAR1 (0.64) SIGMAR1KDM4ETDP1ALDH1A1POLB
SCHEMBL7762764 0.78 KDM4E (0.55) SIGMAR1KDM4EALDH1A1MAPTTMEM97
SCHEMBL9230596 0.77 SIGMAR1 (0.54) SIGMAR1POLBCYP1A2CYP2D6TMEM97
SCHEMBL9449597 0.76 SIGMAR1 (0.55) SIGMAR1KDM4ECYP1A2CYP2D6TMEM97
SCHEMBL7759855 0.75 CCR3 (0.58) SIGMAR1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL9449928 0.73 HTR1A (0.51) SIGMAR1KDM4EPOLBMAPTTMEM97
SCHEMBL9449807 0.73 DRD2 (0.46) KDM4EALDH1A1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0673934-B1 Aminoalkyl benzothiazolinones, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2001-04-25 EP claimed
CN-1111626-A Preparation and the pharmaceutical compositions which contain them ADIR (FR) 1995-11-15 CN claimed
EP-0673934-A1 Aminoalkyl benzothiazolinones, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1995-09-27 EP claimed
EP-0673934-A1 Aminoalkyl benzothiazolinones, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1995-09-27 EP disclosed