SCHEMBL9218525

SCHEMBL9218525

COC=C(C(=O)O)c1csc2ccc(CON=C(C)c3ccccn3)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.48
LMNA P02545 5/20 0.48
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
KDM4E B2RXH2 4/20 0.36
AGTR1 P30556 1/20 0.35
KLF5 Q13887 1/20 0.35
MAPT P10636 2/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
FFAR1 O14842 5/20 0.34
TBXAS1 P24557 1/20 0.34
HTT P42858 3/20 0.33
MITF O75030 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
TDP1 Q9NUW8 2/20 0.33

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
SCHEMBL9209788 0.92 NPC1 (0.47) SMN1; SMN2LMNARAB9ANPC1L3MBTL1
SCHEMBL9278098 0.89 NPC1 (0.35) SMN1; SMN2LMNARAB9ANPC1L3MBTL1
SCHEMBL9209794 0.87 SMN1; SMN2 (0.48) SMN1; SMN2LMNARAB9ANPC1L3MBTL1
SCHEMBL9211087 0.81 NPC1 (0.35) SMN1; SMN2LMNARAB9ANPC1L3MBTL1
SCHEMBL9213079 0.80 FFAR1 (0.37) SMN1; SMN2KDM4EMAPTFFAR1TBXAS1
SCHEMBL9218845 0.80 PPARG (0.43) SMN1; SMN2RAB9ANPC1MAPTALDH1A1
SCHEMBL9216433 0.79 MTNR1A (0.33) FFAR1TBXAS1
SCHEMBL9275150 0.79 MEN1 (0.37) L3MBTL1FFAR1TBXAS1
SCHEMBL9211094 0.76 NPC1 (0.36) SMN1; SMN2LMNARAB9ANPC1L3MBTL1
SCHEMBL9032937 0.76 NPC1 (0.43) SMN1; SMN2LMNARAB9ANPC1L3MBTL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0433233-B1 Heterocyclic compounds CIBA GEIGY AG (CH) 1995-01-25 EP claimed