SCHEMBL9036253

SCHEMBL9036253

O=C(CCN1CCCSC1)c1ccc(F)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.52
HTR1A P08908 2/20 0.50
TSHR P16473 1/20 0.49
KMT2A Q03164 4/20 0.49
ALDH1A1 P00352 3/20 0.49
DRD2 P14416 1/20 0.48
GFER P55789 1/20 0.48
MEN1 O00255 1/20 0.47
CHRM2 P08172 1/20 0.47
ADRA2A P08913 1/20 0.47
DRD1 P21728 1/20 0.47
ADRA1A P35348 1/20 0.47
OPRM1 P35372 1/20 0.47
DRD3 P35462 1/20 0.47
KCNH2 Q12809 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL9035205 0.92 SIGMAR1 (0.54) SIGMAR1HTR1ATSHRKMT2ADRD2
SCHEMBL9035786 0.84 ALDH1A1 (0.57) SIGMAR1HTR1AKMT2AALDH1A1GFER
SCHEMBL7350313 0.84 ALDH1A1 (0.68) SIGMAR1HTR1ATSHRKMT2AALDH1A1
SCHEMBL11755100 0.82 ALDH1A1 (0.71) SIGMAR1HTR1ATSHRKMT2AALDH1A1
SCHEMBL9034385 0.77 ALDH1A1 (0.61) SIGMAR1HTR1ATSHRKMT2AALDH1A1
SCHEMBL9035090 0.77 KMT2A (0.59) SIGMAR1HTR1ATSHRKMT2AALDH1A1
SCHEMBL9036736 0.77 ALDH1A1 (0.51) SIGMAR1TSHRKMT2AALDH1A1DRD2
SCHEMBL9035245 0.77 KMT2A (0.62) SIGMAR1HTR1AKMT2AALDH1A1GFER
SCHEMBL9035941 0.76 KMT2A (0.51) HTR1ATSHRKMT2AALDH1A1GFER
SCHEMBL9036283 0.75 ALDH1A1 (0.52) SIGMAR1HTR1AKMT2AALDH1A1GFER

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-0411775-B1 Heterocyclic compounds containing nitrogen and sulfur, processes for their preparation and pharmaceutical compositions thereof RICHTER GEDEON VEGYESZET (HU) 1996-03-13 EP disclosed
US-5096902-A Cerebral antihypoxic action, senile dememtia, Alzheimer's, cognitive functions RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1992-03-17 US disclosed
EP-0411775-A1 Heterocyclic compounds containing nitrogen and sulfur, processes for their preparation and pharmaceutical compositions thereof RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1991-02-06 EP disclosed