SCHEMBL5669409

SCHEMBL5669409

CCCCCNC(=O)C(NCc1ccc2nc(C(N)=O)ccc2c1)c1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 3/20 0.39
▸ MAP4K1 Q92918 3/20 0.39
▸ TLR2 O60603 1/20 0.38
▸ MC4R P32245 1/20 0.38
▸ MC3R P41968 1/20 0.38
▸ MC1R Q01726 1/20 0.38
▸ ALOX12 P18054 1/20 0.36
▸ PLG P00747 2/20 0.36
▸ PRSS1 P07477 2/20 0.36
▸ PRSS2 P07478 2/20 0.36
▸ PRSS3 P35030 2/20 0.36
▸ ALOX5 P09917 2/20 0.36
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ NOD2 Q9HC29 1/20 0.35
▸ PLAU P00749 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ USP2 O75604 2/20 0.35
▸ CASP1 P29466 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35

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
SCHEMBL5669411 0.90 TLR2 (0.39) TLR2MC4RMC3RMC1RALOX12
SCHEMBL5667134 0.84 OPRM1 (0.40) KLKB1MAP4K1ALOX12PLGPRSS1
SCHEMBL5664866 0.83 KLKB1 (0.40) KLKB1MAP4K1MEN1KMT2ANOD2
SCHEMBL5664692 0.78 KLKB1 (0.38) KLKB1MAP4K1MEN1KMT2AKDM4E
SCHEMBL5664782 0.75 MTTP (0.43) —
SCHEMBL5667138 0.74 ALOX12 (0.36) ALOX12PLGPRSS1PRSS2PRSS3
SCHEMBL4985651 0.72 MEN1 (0.41) KLKB1MAP4K1PRSS1PRSS2PRSS3
SCHEMBL5664741 0.72 RAB9A (0.36) KLKB1MAP4K1KDM4EALDH1A1POLB
SCHEMBL5664871 0.72 PLAU (0.38) PLAUHSD17B10HTR2APOLB
SCHEMBL5666297 0.69 KLKB1 (0.37) KLKB1MAP4K1MC4RMC3RMEN1

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-1716137-A1 SUBSTITUTED QUINOLINE COMPOUNDS Pfizer Products Incorporated (US) 2006-11-02 — — EP disclosed
WO-2005080373-A1 SUBSTITUTED QUINOLINE COMPOUNDS PFIZER PRODUCTS INC. (US) 2005-09-01 — — WO disclosed
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