SCHEMBL9743263

SCHEMBL9743263

O=C1SCCN1Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.54
NPC1 O15118 5/20 0.52
RAB9A P51151 4/20 0.52
TP53 P04637 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HRH3 Q9Y5N1 8/20 0.52
MMP13 P45452 1/20 0.49
S1PR5 Q9H228 1/20 0.49
ENPP2 Q13822 1/20 0.47
FAAH O00519 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
MAPK1 P28482 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
SCHEMBL4182979 0.85 MAPK1 (0.57) TP53KDM4EMEN1ALDH1A1KMT2A
SCHEMBL9512641 0.79 POLB (0.62) GRM2MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL3177594 0.78 GRM2 (0.60) GRM2NPC1RAB9ATP53KDM4E
SCHEMBL9514131 0.76 ALDH1A1 (0.60) GRM2NPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL9742828 0.76 ALDH1A1 (0.52) KDM4EALDH1A1SMN1; SMN2FAAHHTT
SCHEMBL1143656 0.75 NPC1 (0.85) NPC1RAB9ATP53KDM4EMEN1
SCHEMBL9511632 0.73 HTT (0.59) TP53KDM4EMEN1ALDH1A1KMT2A
SCHEMBL28958322 0.73 ALDH1A1 (0.50) GRM2NPC1KDM4EALDH1A1KMT2A
SCHEMBL9743824 0.73 ALDH1A1 (0.44) NPC1MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL31484892 0.72 HRH3 (0.78) NPC1RAB9ATP53KDM4EMEN1

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-5169859-A Antisecretory or antiulcer agents RICHTER GEDEON VEGYESZETI GYAR RT (HU) 1992-12-08 US disclosed
EP-0455774-A1 THIAZOLIDINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1991-11-13 EP disclosed
WO-1991008203-A1 NOVEL THIAZOLIDINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME Richter Gedeon Vegyészeti Gyár Rt. (HU) 1991-06-13 WO disclosed