SCHEMBL9220136

SCHEMBL9220136

CC=C(C(=O)OC)c1csc2ccc(CON=C(c3ccccn3)C3CC3)cc12

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.35
RAB9A P51151 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.33
PKM P14618 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KLF5 Q13887 2/20 0.33
FFAR1 O14842 3/20 0.32
GAA P10253 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NR2F2 P24468 1/20 0.31
PAX8 Q06710 1/20 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
SCHEMBL9209794 0.87 SMN1; SMN2 (0.48) NPC1RAB9ASMN1; SMN2L3MBTL1LMNA
SCHEMBL9211094 0.85 NPC1 (0.36) NPC1RAB9ASMN1; SMN2L3MBTL1LMNA
SCHEMBL9221643 0.84 MTNR1A (0.36) MAPTS1PR1S1PR3MTNR1AMTNR1B
SCHEMBL9215417 0.82 MEN1 (0.36) NPC1RAB9AL3MBTL1PKMMEN1
SCHEMBL9209788 0.81 NPC1 (0.47) NPC1RAB9ASMN1; SMN2L3MBTL1LMNA
SCHEMBL9211087 0.79 NPC1 (0.35) NPC1RAB9ASMN1; SMN2L3MBTL1LMNA
SCHEMBL9219849 0.77 MTNR1A (0.35) MAPTMTNR1AMTNR1B
SCHEMBL9215312 0.77 MAPT (0.34) NPC1RAB9AL3MBTL1MAPTMEN1
SCHEMBL9275150 0.76 MEN1 (0.37) L3MBTL1MEN1KMT2AFFAR1MTNR1A
SCHEMBL9313258 0.76 FFAR1 (0.48) SMN1; SMN2MEN1KMT2AFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0433233-B1 Heterocyclic compounds CIBA GEIGY AG (CH) 1995-01-25 EP claimed
US-5376677-A Fungicides CIBA-GEIGY CORPORATION (US) 1994-12-27 US disclosed