SCHEMBL5196804

SCHEMBL5196804

Cc1cccc(C(=O)Nc2nc(-c3ccccc3)sc2OC(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.53
▸ NPC1 O15118 5/20 0.51
▸ RAB9A P51151 5/20 0.51
▸ MAPT P10636 4/20 0.51
▸ POLB P06746 3/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ ADORA3 P0DMS8 2/20 0.50
▸ ADORA2A P29274 2/20 0.50
▸ ADORA1 P30542 2/20 0.50
▸ CTDSP1 Q9GZU7 1/20 0.50
▸ SCD O00767 1/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ CYP1A2 P05177 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ RORC P51449 1/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ KCNK3 O14649 1/20 0.48

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
SCHEMBL5196774 0.84 NPC1 (0.56) LMNANPC1RAB9AMAPTPOLB
SCHEMBL5196570 0.83 MAPT (0.45) NPC1RAB9AMAPTPOLBNPSR1
SCHEMBL5196996 0.81 ADORA3 (0.51) NPC1RAB9AMAPTKDM4EADORA3
SCHEMBL13685249 0.72 SMN1; SMN2 (0.61) LMNANPC1RAB9AMAPTKDM4E
SCHEMBL5193555 0.71 KMT2A (0.55) LMNAMAPTKDM4ENPSR1SMN1; SMN2
SCHEMBL2753357 0.71 KDR (0.77) LMNANPC1RAB9AMAPTPOLB
SCHEMBL2753581 0.71 ADORA2A (0.61) LMNANPC1RAB9AMAPTPOLB
SCHEMBL16774973 0.70 MAPT (0.77) LMNANPC1RAB9AMAPTKDM4E
SCHEMBL12963175 0.70 MAPT (0.75) LMNANPC1RAB9AMAPTPOLB
SCHEMBL2754003 0.69 SCD (0.69) LMNANPC1RAB9AMAPTPOLB

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-1321463-B1 Thiazole derivatives and their use for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC (CA) 2007-08-08 — — EP claimed
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