SCHEMBL7658598

SCHEMBL7658598

CCC(C)(C)N/C(Nc1ccc2ncsc2c1)=C(\C#N)S(C)(=O)=O.CS/C(Nc1ccc2ncsc2c1)=C(\C#N)S(C)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.38
RAB9A P51151 8/20 0.38
MEN1 O00255 6/20 0.38
KMT2A Q03164 6/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 2/20 0.35
NTRK1 P04629 2/20 0.35
NTRK2 Q16620 2/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 2/20 0.35
PKM P14618 1/20 0.35
OTUD7B Q6GQQ9 1/20 0.35
USP30 Q70CQ3 1/20 0.35
POLB P06746 2/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LGMN Q99538 1/20 0.33
MAT2A P31153 1/20 0.33
INSR P06213 1/20 0.33
CSF1R P07333 1/20 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
SCHEMBL7658600 1.00 NPC1 (0.38) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL7636715 0.93 NPC1 (0.40) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL7636712 0.93 NPC1 (0.40) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL7631160 0.87 NPC1 (0.44) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL7631165 0.87 NPC1 (0.44) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL7630182 0.69 MAPT (0.44) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL4259969 0.69 MAPT (0.44) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL7630186 0.69 MAPT (0.44) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL7627819 0.66 MEN1 (0.45) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL7627826 0.66 MEN1 (0.45) NPC1RAB9AMEN1KMT2ASMN1; SMN2

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
US-6365609-B1 MODULATORS FOR ATP-REGULATED POTASSIUM CHANNELS; TREATING DIABETES OR HYPERINSULINEMIA NOVO NORDISK A/S (DK) 2002-04-02 US disclosed