SCHEMBL9036692

SCHEMBL9036692

COc1ccc(C(=O)CCN2CCSC2)c(C)c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.55
KMT2A Q03164 6/20 0.46
ALDH1A1 P00352 6/20 0.46
MAPT P10636 4/20 0.46
MEN1 O00255 3/20 0.46
LMNA P02545 3/20 0.46
POLB P06746 1/20 0.46
KDM4E B2RXH2 3/20 0.46
NPC1 O15118 1/20 0.46
MAOA P21397 3/20 0.44
MAOB P27338 3/20 0.44
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
GFER P55789 1/20 0.42

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
SCHEMBL9036187 0.80 DRD4 (0.52) HTTKMT2AALDH1A1MAPTMEN1
SCHEMBL7386455 0.73 HTT (0.54) HTTKMT2AALDH1A1MAPTMEN1
SCHEMBL1374262 0.72 HTT (1.00) HTTKMT2AALDH1A1MEN1POLB
SCHEMBL12123626 0.70 LMNA (0.64) HTTKMT2AALDH1A1MAPTMEN1
SCHEMBL2089774 0.70 HTT (0.69) HTTKMT2AALDH1A1MAPTMEN1
SCHEMBL9035205 0.69 SIGMAR1 (0.54) HTTKMT2AMEN1KDM4ENPC1
SCHEMBL9034385 0.69 ALDH1A1 (0.61) HTTKMT2AALDH1A1MAPTLMNA
SCHEMBL9035090 0.69 KMT2A (0.59) KMT2AALDH1A1MAPTMEN1LMNA
SCHEMBL6635996 0.69 HTT (0.67) HTTKMT2AALDH1A1MAPTMEN1
SCHEMBL4549083 0.69 HTT (0.67) HTTKMT2AALDH1A1MAPTMEN1

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 5 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
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