SCHEMBL10566353

SCHEMBL10566353

COC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1ccc(OCCCCBr)c([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.44
▸ HTT P42858 1/20 0.44
▸ PRSS1 P07477 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ XDH P47989 1/20 0.42
▸ THRA P10827 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ GAA P10253 1/20 0.41

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
SCHEMBL10568350 0.90 XDH (0.48) ALDH1A1HTTPRSS1MEN1NPC1
SCHEMBL10566344 0.82 RAB9A (0.41) ALDH1A1HTTKDM4EMEN1NPC1
SCHEMBL6959311 0.74 KDM4E (0.45) ALDH1A1HTTKDM4EMEN1MAPK1
SCHEMBL6959324 0.74 KDM4E (0.45) ALDH1A1HTTKDM4EMEN1MAPK1
SCHEMBL10567349 0.72 ADORA3 (0.52) ALDH1A1KDM4EMEN1POLBNFKB1
SCHEMBL10568361 0.71 PTGDR2 (0.42) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL10568339 0.71 PTGDR2 (0.42) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL10746185 0.71 ALDH1A1 (0.70) ALDH1A1HTTKDM4EMEN1NPC1
SCHEMBL11420458 0.71 HTT (0.52) ALDH1A1HTTPRSS1MEN1POLB
SCHEMBL27804692 0.71 KMT2A (0.55) ALDH1A1PRSS1KDM4EMEN1NPC1

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
US-4843085-A LOCAL ANESTHETICS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1989-06-27 — — US disclosed
EP-0297613-A2 Pyridine derivatives, process for production thereof and pharmaceutical composition containing them YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1989-01-04 — — EP disclosed
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