SCHEMBL9502114

SCHEMBL9502114

O=S(=O)(c1ccccc1)N1CCN(CC(O)CCl)CC1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.57
LMNA P02545 1/20 0.57
GAA P10253 1/20 0.57
ALDH1A1 P00352 3/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
CYP2D6 P10635 1/20 0.51
CHRNB2 P17787 1/20 0.51
CHRNB4 P30926 1/20 0.51
CHRNA3 P32297 1/20 0.51
CHRNA4 P43681 1/20 0.51
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL608302 0.80 MAPT (0.63) PKMLMNAGAAALDH1A1KMT2A
SCHEMBL9501073 0.79 GAA (0.59) PKMLMNAGAAALDH1A1KMT2A
SCHEMBL12726868 0.79 CYP2D6 (0.76) PKMLMNAGAAALDH1A1KMT2A
SCHEMBL10974777 0.77 POLB (0.62) PKMLMNAALDH1A1KMT2AMEN1
SCHEMBL1461195 0.76 PKM (0.70) PKMGAAALDH1A1CHRNB2CHRNB4
SCHEMBL735657 0.76 POLB (0.80) PKMLMNAGAAALDH1A1CYP2D6
SCHEMBL3830424 0.76 POLB (0.80) PKMLMNAGAAALDH1A1CYP2D6
SCHEMBL7122592 0.76 POLB (0.80) PKMLMNAGAAALDH1A1CYP2D6
SCHEMBL7131206 0.75 KDM4E (0.78) LMNAGAAALDH1A1CYP2D6POLB
SCHEMBL7269243 0.75 KDM4E (0.66) LMNAGAAALDH1A1CYP2D6POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0330910-B1 PROPANE DERIVATIVES KOWA COMPANY, LTD. (JP) 1993-05-12 EP disclosed
US-4960883-A Cardiovascular disorders KOWA COMPANY, LTD. (JP) 1990-10-02 US disclosed
EP-0330910-A1 Propane derivatives KOWA COMPANY, LTD. (JP) 1989-09-06 EP disclosed