SCHEMBL20039944

SCHEMBL20039944

Cc1nc(C)c(C)c(C(=O)Cl)n1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.37
NPSR1 Q6W5P4 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL2743305 0.80 PDK2 (0.38) EGLN1ALDH1A1
SCHEMBL15082052 0.79 EGLN1 (0.42) EGLN1NPSR1ALDH1A1MAPT
SCHEMBL1831305 0.77 EGLN1 (0.37) EGLN1NPSR1ALDH1A1MAPT
SCHEMBL13998902 0.74 NPSR1 (0.54) EGLN1NPSR1ALDH1A1MAPT
SCHEMBL11596189 0.72 CA12 (0.33) NPSR1ALDH1A1
SCHEMBL6169773 0.70 EGLN1 (0.34) EGLN1
SCHEMBL27897265 0.69 CA12 (0.39) ALDH1A1
SCHEMBL77166 0.68 LMNA (0.30)
SCHEMBL5477906 0.65 ALDH1A1 (0.40) EGLN1ALDH1A1MAPT
SCHEMBL13336077 0.62 SMN1; SMN2 (0.35) ALDH1A1

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-3091012-B1 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF CENTREXION THERAPEUTICS CORP (US) 2018-04-11 EP disclosed