SCHEMBL9035306

SCHEMBL9035306

O=C(c1ccccc1)C(Cc1ccccc1)CN1CCSC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.47
RAB9A P51151 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HTT P42858 2/20 0.47
ATM Q13315 2/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 1/20 0.47
HIF1A Q16665 1/20 0.47
MDM2 Q00987 1/20 0.45
CYP1A2 P05177 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP12 P39900 1/20 0.41
MITF O75030 1/20 0.40
GFER P55789 1/20 0.40
PAX8 Q06710 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CPA1 P15085 2/20 0.38
CPA3 P15088 2/20 0.38
FOLH1 Q04609 1/20 0.38

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 0.80 ALDH1A1 (0.60) DPP4RAB9AALDH1A1HTTATM
SCHEMBL9036951 0.78 SMN1; SMN2 (0.66) DPP4RAB9AALDH1A1HTTATM
SCHEMBL6202028 0.78 ALDH1A1 (0.75) RAB9AALDH1A1HTTATMLMNA
SCHEMBL6201853 0.74 MDM2 (0.70) RAB9AHTTATMMAPTMDM2
SCHEMBL9036691 0.71 ALDH1A1 (0.55) RAB9AALDH1A1LMNAMAPTGFER
SCHEMBL9035245 0.69 KMT2A (0.62) ALDH1A1LMNAMAPTGFER
SCHEMBL2075836 0.68 SIGMAR1 (0.59) ALDH1A1LMNA
SCHEMBL9037029 0.67 CHRM2 (0.50) ALDH1A1LMNA
SCHEMBL14068950 0.66 ALDH1A1 (0.60) RAB9AALDH1A1HTTATMLMNA
SCHEMBL7718161 0.66 ALDH1A1 (0.60) RAB9AALDH1A1HTTATMLMNA

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