SCHEMBL9035786

SCHEMBL9035786

O=C(CCN1CCCSC1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
KMT2A Q03164 5/20 0.57
GFER P55789 1/20 0.56
HTR1A P08908 1/20 0.50
SIGMAR1 Q99720 1/20 0.49
EGFR P00533 2/20 0.48
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
FFAR1 O14842 1/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
RAB9A P51151 1/20 0.48
HIF1A Q16665 1/20 0.48
HPGD P15428 1/20 0.47
L3MBTL1 Q9Y468 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
SCHEMBL9036283 0.92 ALDH1A1 (0.52) ALDH1A1KMT2AGFERHTR1ASIGMAR1
SCHEMBL9036253 0.84 SIGMAR1 (0.52) ALDH1A1KMT2AGFERHTR1ASIGMAR1
SCHEMBL9035245 0.83 KMT2A (0.62) ALDH1A1KMT2AGFERHTR1ASIGMAR1
SCHEMBL9035090 0.75 KMT2A (0.59) ALDH1A1KMT2AGFERHTR1ASIGMAR1
SCHEMBL12123772 0.75 ALDH1A1 (0.83) ALDH1A1KMT2AEGFRMAPTLMNA
SCHEMBL9034385 0.75 ALDH1A1 (0.61) ALDH1A1KMT2AHTR1ASIGMAR1MAPT
SCHEMBL9035205 0.75 SIGMAR1 (0.54) KMT2AHTR1ASIGMAR1SMN1; SMN2RAB9A
SCHEMBL2725965 0.75 KMT2A (0.90) ALDH1A1KMT2AGFERHTR1ASIGMAR1
SCHEMBL10507206 0.75 ALDH1A1 (0.96) ALDH1A1KMT2AGFERHTR1ASIGMAR1
SCHEMBL31093179 0.74 KMT2A (0.71) ALDH1A1KMT2AGFERHTR1ASIGMAR1

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
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-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