SCHEMBL7765506

SCHEMBL7765506

CN1C[S+]([O-])c2cc(CN3CCN(c4ccc(S(N)(=O)=O)cc4)CC3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 17/20 0.46
CA1 P00915 16/20 0.46
CA7 P43166 14/20 0.46
CA9 Q16790 14/20 0.46
LSS P48449 1/20 0.46
CA12 O43570 1/20 0.42
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL7762764 0.84 KDM4E (0.55) LSSLMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL7767380 0.82 DRD4 (0.53) LMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL8407634 0.78 HTR1A (0.52) CA2CA1CA7CA9
SCHEMBL8621656 0.77 KDM4E (0.61) SMN1; SMN2KDM4EALDH1A1
SCHEMBL7762716 0.75 KDM4E (0.56) LMNASMN1; SMN2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL9449928 0.74 HTR1A (0.51) KDM4E
Hydrochloric Acid SCHEMBL8406359 0.74 KDM4E (0.55) LMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL6442002 0.74 DRD4 (0.66) CA2CA1CA7CA9CA12
SCHEMBL7766463 0.73 HTR7 (0.61) LMNAKDM4EALDH1A1
SCHEMBL7765547 0.73 USP2 (0.56) LMNAALDH1A1

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-0841330-B1 Aminomethyl heterocyclic derivatives, process of their preparation and pharmaceutical compositions containing them ADIR (FR) 2001-06-27 EP claimed
EP-0841330-A1 Aminomethyl heterocyclic derivatives, process of their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1998-05-13 EP claimed
EP-0841330-B1 Aminomethyl heterocyclic derivatives, process of their preparation and pharmaceutical compositions containing them ADIR (FR) 2001-06-27 EP disclosed
US-5919784-A ANXIETY, DEPRESSION ADIR ET COMPAGNIE (FR) 1999-07-06 US disclosed
EP-0841330-A1 Aminomethyl heterocyclic derivatives, process of their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1998-05-13 EP disclosed