SCHEMBL7764994

SCHEMBL7764994

C=C1CC(CSCc2ccccc2)N(OCc2ccccc2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
HTT P42858 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 2/20 0.38
KMT2A Q03164 1/20 0.38
CRBN Q96SW2 1/20 0.37
KCNA5 P22460 4/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
ATM Q13315 1/20 0.35
AGTR2 P50052 1/20 0.34
ALOX15 P16050 1/20 0.33
DHFR P00374 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 3/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2C9 P11712 2/20 0.31

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
SCHEMBL7765809 0.78 EHMT2 (0.42) ALDH1A1SMN1; SMN2HTTL3MBTL1LMNA
SCHEMBL7767452 0.76 CRBN (0.43) ALDH1A1SMN1; SMN2HTTL3MBTL1LMNA
SCHEMBL19700851 0.68 PTGER4 (0.39) ALDH1A1HTTL3MBTL1KCNA5GAA
SCHEMBL7766815 0.67 CRBN (0.43) ALDH1A1SMN1; SMN2HTTL3MBTL1LMNA
SCHEMBL7764955 0.67 EHMT2 (0.38) ALDH1A1SMN1; SMN2HTTL3MBTL1LMNA
SCHEMBL7766697 0.66 EHMT2 (0.38) ALDH1A1SMN1; SMN2HTTL3MBTL1LMNA
SCHEMBL22728271 0.65 KMT2A (0.51) ALDH1A1SMN1; SMN2HTTL3MBTL1KMT2A
SCHEMBL15042316 0.65 KCNA5 (0.46) ALDH1A1KMT2AKCNA5NPC1RAB9A
SCHEMBL19700849 0.64 KCNA5 (0.45) ALDH1A1HTTLMNAKCNA5ALOX15
SCHEMBL9781790 0.64 KCNA5 (0.45) ALDH1A1KCNA5DHFRTSHRCYP2C19

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-0639566-B1 CYCLIC COMPOUND SANTEN PHARMACEUTICAL CO LTD (JP) 2001-06-20 EP disclosed
US-5461158-A Immunodeficiency and autoimmune diseases SANTEN PHARMACEUTICAL CO., LTD. (JP) 1995-10-24 US disclosed
EP-0639566-A1 CYCLIC COMPOUND SANTEN PHARMACEUTICAL CO., LTD. (JP) 1995-02-22 EP disclosed