SCHEMBL9035205

SCHEMBL9035205

O=C(CCN1CCSC1)c1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.54
HTR1A P08908 2/20 0.52
TSHR P16473 1/20 0.51
DRD2 P14416 2/20 0.50
MEN1 O00255 1/20 0.49
CHRM2 P08172 1/20 0.49
ADRA2A P08913 1/20 0.49
DRD1 P21728 1/20 0.49
ADRA1A P35348 1/20 0.49
OPRM1 P35372 1/20 0.49
DRD3 P35462 1/20 0.49
KMT2A Q03164 1/20 0.49
KCNH2 Q12809 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 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
SCHEMBL9036253 0.92 SIGMAR1 (0.52) SIGMAR1HTR1ATSHRDRD2MEN1
SCHEMBL9034385 0.85 ALDH1A1 (0.61) SIGMAR1HTR1ATSHRDRD2ADRA1A
SCHEMBL9035090 0.85 KMT2A (0.59) SIGMAR1HTR1ATSHRDRD2MEN1
SCHEMBL9036736 0.85 ALDH1A1 (0.51) SIGMAR1TSHRDRD2MEN1KMT2A
SCHEMBL9035245 0.85 KMT2A (0.62) SIGMAR1HTR1AKMT2ASLC6A4SLC6A3
SCHEMBL9036283 0.83 ALDH1A1 (0.52) SIGMAR1HTR1AKMT2ASMN1; SMN2RAB9A
SCHEMBL9035735 0.82 ALDH1A1 (0.42) TSHRMEN1KMT2AHTTHSD17B10
SCHEMBL9035941 0.81 KMT2A (0.51) HTR1ATSHRMEN1KMT2AHTT
SCHEMBL7350313 0.80 ALDH1A1 (0.68) SIGMAR1HTR1ATSHRDRD2MEN1
SCHEMBL11755100 0.78 ALDH1A1 (0.71) SIGMAR1HTR1ATSHRMEN1CHRM2

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 6 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 claimed
US-5096902-A Cerebral antihypoxic action, senile dememtia, Alzheimer's, cognitive functions RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1992-03-17 US claimed
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 claimed
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