SCHEMBL7185665

SCHEMBL7185665

Cc1cc(Sc2ccc([N+](=O)[O-])c(O)c2)c(C)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 8/20 0.44
▸ GPR35 Q9HC97 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ PDE7B Q9NP56 3/20 0.39
▸ LMNA P02545 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ TSHR P16473 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ IDO1 P14902 2/20 0.37
▸ PPIA P62937 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ PDE4B Q07343 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ SIRT6 Q8N6T7 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
SCHEMBL305329 0.73 ALDH1A1 (0.49) GPR35ALDH1A1LMNAMEN1KMT2A
SCHEMBL31220465 0.73 ALDH1A1 (0.49) GPR35ALDH1A1TSHRCYP3A4PPIA
SCHEMBL304867 0.73 ALDH1A1 (0.49) GPR35ALDH1A1TSHRCYP3A4PPIA
SCHEMBL23144771 0.72 GPR35 (0.56) GPR35ALDH1A1MAPTLMNAMEN1
SCHEMBL27488360 0.72 GPR35 (0.56) PDE7AGPR35ALDH1A1MAPTLMNA
SCHEMBL13401628 0.71 GPR35 (0.51) PDE7AGPR35ALDH1A1MAPTPDE7B
SCHEMBL4284955 0.70 PDE7A (0.50) PDE7AALDH1A1MAPTPDE7BLMNA
SCHEMBL21625 0.70 MAPT (0.42) PDE7AGPR35ALDH1A1MAPTPDE7B
SCHEMBL772624 0.69 CYP1A2 (0.48) GPR35ALDH1A1MAPTHTTNPSR1
SCHEMBL20727289 0.69 PDE7A (0.55) PDE7AGPR35ALDH1A1MAPTPDE7B

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
WO-2003007955-A2 BIPHENYL APURINIC/APYRIMIDINIC SITE ENDONUCLEASE INHIBITORS TO TREAT CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2003-01-30 — — WO claimed
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