SCHEMBL24690112

SCHEMBL24690112

O=C(NCc1ccccc1)c1cccc(-c2cc(Nc3c(O)c(=O)c3=O)cc(-c3nn[nH]n3)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 1/20 0.46
▸ EPHX2 P34913 2/20 0.44
▸ NR1H4 Q96RI1 2/20 0.44
▸ JAK2 O60674 1/20 0.44
▸ MAP4K4 O95819 1/20 0.44
▸ CHEK2 O96017 1/20 0.44
▸ PRKCG P05129 1/20 0.44
▸ CDK1 P06493 1/20 0.44
▸ FES P07332 1/20 0.44
▸ RET P07949 1/20 0.44
▸ ROS1 P08922 1/20 0.44
▸ FER P16591 1/20 0.44
▸ FLT1 P17948 1/20 0.44
▸ AXL P30530 1/20 0.44
▸ FLT4 P35916 1/20 0.44
▸ KDR P35968 1/20 0.44
▸ FLT3 P36888 1/20 0.44
▸ MAPK9 P45984 1/20 0.44
▸ IRAK1 P51617 1/20 0.44
▸ LIMK1 P53667 1/20 0.44

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
SCHEMBL24689881 0.91 EGFR (0.51) EPHX2NR1H4MAP4K4PRKCGROCK1
SCHEMBL24690119 0.87 MAPT (0.46) EGLN1GP6
SCHEMBL30019984 0.85 CFD (0.45) CFDEPHX2NR1H4JAK2MAP4K4
SCHEMBL24690091 0.84 GP6 (0.51) GP6
SCHEMBL24689873 0.82 EPHX2 (0.51) EPHX2NR1H4ROCK1EGFRHDAC3
SCHEMBL24690266 0.82 EGLN1 (0.41) EGLN1GP6HDAC3HDAC1
SCHEMBL24690114 0.80 MAPT (0.43) EGLN1
SCHEMBL24690116 0.78 XDH (0.56) EPHX2NR1H4XDH
SCHEMBL24690118 0.77 XDH (0.57) SLKEGLN1GP6XDH
SCHEMBL24690092 0.76 ALDH1A1 (0.59) GP6

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-2022224212-A1 GPR35 AGONIST COMPOUNDS HEPTARES THERAPEUTICS LIMITED (GB) 2022-10-27 — — WO disclosed
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