SCHEMBL750015

SCHEMBL750015

O=C(O)C1Cc2sccc2S1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 1/20 0.34
ACE P12821 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4C Q9H3R0 1/20 0.30
PTPN2 P17706 1/20 0.30
PTPRB P23467 1/20 0.30
PTPN6 P29350 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL9459194 0.72 NPC1 (0.36) NPC1MAPTPKMRAB9AALDH1A1
SCHEMBL7599608 0.69 MAPT (0.54) NPC1MAPTPKMRAB9AALDH1A1
SCHEMBL31316696 0.69 MAPT (0.54) NPC1MAPTPKMRAB9AALDH1A1
SCHEMBL2171598 0.66 MAPT (0.50) NPC1MAPTPKMRAB9AALDH1A1
SCHEMBL24193321 0.65 MAPT (0.39) NPC1MAPTPKMRAB9APOLB
SCHEMBL12060932 0.65 NPC1 (0.39) NPC1MAPTPKMRAB9APTPN2
SCHEMBL31361549 0.65 MAPT (0.39) NPC1MAPTPKMRAB9APOLB
SCHEMBL1105143 0.65 NPC1 (0.39) NPC1MAPTPKMRAB9AALDH1A1
SCHEMBL11919879 0.65 NPC1 (0.39) NPC1MAPTPKMRAB9APOLB
SCHEMBL10656312 0.63 KMT2A (0.31) KMT2A

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-2430014-A1 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2012-03-21 EP disclosed
WO-2010132601-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-11-18 WO disclosed