SCHEMBL27804372

SCHEMBL27804372

COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
TDP1 Q9NUW8 2/20 0.44
POLB P06746 1/20 0.43
GAA P10253 2/20 0.43
HTT P42858 2/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KMT2A Q03164 4/20 0.42
RORC P51449 2/20 0.41
GPR35 Q9HC97 1/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
MEN1 O00255 2/20 0.40
PKM P14618 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL22082614 0.84 ALDH1A1 (0.56) ALDH1A1TDP1POLBGAAHTT
SCHEMBL15081285 0.84 ALDH1A1 (0.45) ALDH1A1POLBGAAHTTKMT2A
SCHEMBL30353758 0.84 ALDH1A1 (0.45) ALDH1A1POLBGAAHTTKMT2A
SCHEMBL24723054 0.83 PDGFRB (0.45) ALDH1A1TDP1POLBGAAHTT
SCHEMBL5970965 0.83 GPR35 (0.54) ALDH1A1TDP1POLBGAAHTT
SCHEMBL18878093 0.83 KMT2A (0.46) ALDH1A1TDP1POLBGAAHTT
SCHEMBL5219938 0.83 ALDH1A1 (0.46) ALDH1A1TDP1POLBHTTMAPK1
SCHEMBL27763193 0.82 ALDH1A1 (0.52) ALDH1A1GAAHTTMAPK1NPSR1
SCHEMBL22866318 0.82 ALDH1A1 (0.44) ALDH1A1TDP1POLBGAAHTT
SCHEMBL11510888 0.82 ALDH1A1 (0.59) ALDH1A1TDP1POLBGAAHTT

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
CN-101983384-A Prolyl hydroxylase inhibitors SMITHKLINE BEECHAM CORP 2011-03-02 CN disclosed