SCHEMBL9036951

SCHEMBL9036951

O=C(c1ccccc1)C(CN1CCSC1)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.66
MITF O75030 5/20 0.66
ALDH1A1 P00352 5/20 0.66
HTT P42858 4/20 0.66
ATM Q13315 3/20 0.66
RAB9A P51151 3/20 0.66
PAX8 Q06710 2/20 0.66
GFER P55789 1/20 0.66
NTSR1 P30989 2/20 0.54
LMNA P02545 10/20 0.53
HIF1A Q16665 2/20 0.53
MAPT P10636 6/20 0.52
TP53 P04637 4/20 0.52
MAPK1 P28482 2/20 0.52
HSP90AA1 P07900 1/20 0.52
NLRP1 Q9C000 1/20 0.48
CYP1A1 P04798 1/20 0.48
CYP19A1 P11511 1/20 0.48
JAK2 O60674 2/20 0.47
MEN1 O00255 1/20 0.46

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
SCHEMBL9034949 0.84 ALDH1A1 (0.60) SMN1; SMN2MITFALDH1A1HTTATM
SCHEMBL6325548 0.81 SMN1; SMN2 (0.97) SMN1; SMN2MITFALDH1A1HTTATM
SCHEMBL6321267 0.80 SMN1; SMN2 (0.94) SMN1; SMN2MITFALDH1A1HTTATM
SCHEMBL9035306 0.78 DPP4 (0.47) SMN1; SMN2MITFALDH1A1HTTATM
SCHEMBL6320116 0.77 SMN1; SMN2 (0.81) SMN1; SMN2MITFALDH1A1HTTATM
SCHEMBL9036691 0.73 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1RAB9AGFERLMNA
SCHEMBL9037029 0.71 CHRM2 (0.50) ALDH1A1NTSR1LMNAHSP90AA1L3MBTL1
SCHEMBL10852952 0.71 SMN1; SMN2 (0.77) SMN1; SMN2MITFALDH1A1HTTATM
SCHEMBL9035245 0.71 KMT2A (0.62) ALDH1A1GFERLMNAMAPTKMT2A
SCHEMBL7580361 0.69 L3MBTL1 (0.59) SMN1; SMN2MITFALDH1A1HTTATM

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