SCHEMBL1842053

SCHEMBL1842053

CCNC(=O)Nc1nc2c(F)c(-c3cnc(N4CCN(OC(C)=O)CC4)nc3)cc(-c3ccccn3)c2s1.[LiH]

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 6/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ROCK2 O75116 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
SCHEMBL1842060 0.88 TNF (0.37) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL1843018 0.88 ABL1 (0.39) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL1849172 0.87 TNF (0.37) ABL1NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL1843261 0.87 ABL1 (0.38) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL1843503 0.86 ACHE (0.42) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL2180521 0.86 KDM4E (0.37) ABL1NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL1843304 0.86 ACHE (0.40) ABL1NPC1RAB9ASMN1; SMN2
Lithium Ion SCHEMBL1842051 0.86 ACHE (0.36) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL1842666 0.86 ACHE (0.42) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL2180195 0.86 ABL1 (0.35) ABL1NPC1RAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2321309-A1 BENZOTHIAZOLES AND AZA-ANALOGUES THEREOF USE AS ANTIBACTERIAL AGENTS Ranbaxy Laboratories Limited (IN) 2011-05-18 — — EP disclosed
WO-2009156966-A1 BENZOTHIAZOLES AND AZA-ANALOGUES THEREOF USE AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2009-12-30 — — WO disclosed
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