SCHEMBL9849089

SCHEMBL9849089

Cc1cc(F)ccc1-c1cc(-c2ccccc2)nc(C(C)CI)c1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 6/20 0.40
CTSA P10619 1/20 0.38
HMGCR P04035 1/20 0.37
PIK3CA P42336 3/20 0.37
PIK3CG P48736 3/20 0.37
DHFR P00374 1/20 0.36
ALKBH5 Q6P6C2 1/20 0.36

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
SCHEMBL8877954 0.88 DHODH (0.43) DHODHCTSAHMGCRDHFRALKBH5
SCHEMBL9849142 0.84 HMGCR (0.40) DHODHCTSAHMGCR
SCHEMBL9849071 0.83 HMGCR (0.37) DHODHCTSAHMGCR
SCHEMBL9849132 0.81 HMGCR (0.36) DHODHCTSAHMGCR
SCHEMBL8877555 0.74 HMGCR (0.48) HMGCR
SCHEMBL8879993 0.73 HMGCR (0.49) DHODHHMGCR
SCHEMBL9849110 0.73 KMT2A (0.48) DHODH
SCHEMBL8877862 0.72 HMGCR (0.44) DHODHHMGCR
SCHEMBL9849239 0.71 HMGCR (0.48) DHODHHMGCR
SCHEMBL9849224 0.70 DHODH (0.45) DHODH

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-0444533-A2 Quinoline and pyridine anchors for HMG-CoA reductase inhibitors E.R. SQUIBB & SONS, INC. (US) 1991-09-04 EP disclosed