SCHEMBL9826740

SCHEMBL9826740

O=C(CN1CSCC1=O)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.55
SMN1; SMN2 Q16637 7/20 0.54
LMNA P02545 5/20 0.54
HTT P42858 3/20 0.54
POLB P06746 2/20 0.54
NPC1 O15118 1/20 0.54
MITF O75030 1/20 0.54
S1PR4 O95977 1/20 0.54
MAPT P10636 1/20 0.54
S1PR1 P21453 1/20 0.54
RECQL P46063 1/20 0.54
RAB9A P51151 1/20 0.54
KMT2A Q03164 2/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
MEN1 O00255 1/20 0.50
NPBWR1 P48145 1/20 0.50
MCHR1 Q99705 1/20 0.50
DRD4 P21917 1/20 0.49
KDM4E B2RXH2 2/20 0.48

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
SCHEMBL10405323 0.80 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2LMNAHTTPOLB
SCHEMBL9825505 0.79 ALDH1A1 (0.60) ALDH1A1NPC1KMT2AKDM4E
SCHEMBL5071301 0.77 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2LMNAHTTPOLB
SCHEMBL8595197 0.76 GSK3A (0.50) ALDH1A1LMNAHTTPOLBKMT2A
Hydrochloric Acid SCHEMBL3845514 0.76 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2LMNAHTTPOLB
SCHEMBL8188406 0.76 ALDH1A1 (0.86) ALDH1A1SMN1; SMN2LMNAHTTPOLB
SCHEMBL9826656 0.76 POLB (0.39) SMN1; SMN2LMNAHTTPOLBMAPT
SCHEMBL9669549 0.75 HPGD (0.62) ALDH1A1SMN1; SMN2LMNAHTTPOLB
SCHEMBL22803079 0.74 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2LMNAHTTPOLB
SCHEMBL8916586 0.73 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2LMNAHTTPOLB

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-0203743-B1 OXOTHIAZOLIDINE COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-02-06 EP disclosed
US-4764514-A COGNITIONACTIVATORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-08-16 US disclosed
EP-0203743-A1 Oxothiazolidine compound FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-12-03 EP disclosed