SCHEMBL9035941

SCHEMBL9035941

O=C(CCN1CCSC1)c1ccc(N2CCCCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.51
MEN1 O00255 2/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
ALDH1A1 P00352 5/20 0.50
GFER P55789 1/20 0.49
HTR1A P08908 2/20 0.48
LMNA P02545 2/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
SOD1 P00441 1/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
L3MBTL1 Q9Y468 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
SCHEMBL9034385 0.81 ALDH1A1 (0.61) KMT2AALDH1A1HTR1ALMNAMAPT
SCHEMBL9035205 0.81 SIGMAR1 (0.54) KMT2AMEN1HTR1AHTTTSHR
SCHEMBL9035090 0.81 KMT2A (0.59) KMT2AMEN1ALDH1A1GFERHTR1A
SCHEMBL9035245 0.80 KMT2A (0.62) KMT2AALDH1A1GFERHTR1ALMNA
SCHEMBL9036283 0.78 ALDH1A1 (0.52) KMT2AALDH1A1GFERHTR1ALMNA
SCHEMBL9035735 0.77 ALDH1A1 (0.42) KMT2AMEN1ALDH1A1GFERLMNA
SCHEMBL9036253 0.76 SIGMAR1 (0.52) KMT2AMEN1ALDH1A1GFERHTR1A
SCHEMBL4472849 0.74 ALDH1A1 (0.70) KMT2AHDAC1HDAC8ALDH1A1GFER
SCHEMBL10605457 0.74 RAB9A (0.61) KMT2AMEN1HDAC1HDAC8ALDH1A1
SCHEMBL11763488 0.74 RAB9A (0.61) KMT2AMEN1HDAC1HDAC8ALDH1A1

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