SCHEMBL10568350

SCHEMBL10568350

Cc1nc(C)c(C(=O)O)c(-c2ccc(OCCCCBr)c([N+](=O)[O-])c2)c1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 2/20 0.48
▸ PRSS1 P07477 3/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HTT P42858 1/20 0.43
▸ THRA P10827 1/20 0.43
▸ THRB P10828 1/20 0.43

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
SCHEMBL10566353 0.90 ALDH1A1 (0.44) XDHPRSS1ALDH1A1MEN1NPC1
SCHEMBL10568339 0.81 PTGDR2 (0.42) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL10568361 0.81 PTGDR2 (0.42) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL10566344 0.71 RAB9A (0.41) ALDH1A1MEN1NPC1POLBRAB9A
SCHEMBL8176761 0.71 PTPN11 (0.68) XDHPRSS1ALDH1A1THRATHRB
SCHEMBL9626727 0.71 PTPN11 (0.68) XDHPRSS1ALDH1A1THRATHRB
SCHEMBL9626821 0.71 PTPN11 (0.68) XDHPRSS1ALDH1A1THRATHRB
SCHEMBL5343331 0.71 PTPN11 (0.68) XDHPRSS1ALDH1A1THRATHRB
SCHEMBL9627241 0.71 PTPN11 (0.68) XDHPRSS1ALDH1A1THRATHRB
SCHEMBL6959324 0.71 KDM4E (0.45) ALDH1A1MEN1MAPK1KMT2ASMN1; 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
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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