SCHEMBL9829005

SCHEMBL9829005

C#CCNc1ccc(C(=O)NCC(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
KDM4E B2RXH2 2/20 0.54
HIF1A Q16665 1/20 0.54
SLC22A6 Q4U2R8 1/20 0.54
SLC22A8 Q8TCC7 1/20 0.54
SOST Q9BQB4 1/20 0.50
CA1 P00915 4/20 0.49
CA2 P00918 4/20 0.49
CA9 Q16790 3/20 0.48
CA12 O43570 2/20 0.48
CA14 Q9ULX7 1/20 0.48
ATM Q13315 1/20 0.47
NAMPT P43490 1/20 0.44
EGLN1 Q9GZT9 2/20 0.42
KDM6B O15054 1/20 0.42
FTO Q9C0B1 1/20 0.42
HIF1AN Q9NWT6 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
KDM3A Q9Y4C1 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL9556140 0.85 KMT2A (0.50) MAPTKDM4ECA1CA2CA9
SCHEMBL28826070 0.80 PLK1 (0.50) MAPTCA1CA2CA9CA12
SCHEMBL432166 0.80 CA1 (0.51) MAPTKDM4ECA1CA2CA9
SCHEMBL11107537 0.79 KDM4E (0.80) MAPTKDM4EHIF1ASLC22A6SLC22A8
SCHEMBL14075727 0.78 KDM4E (0.62) MAPTKDM4EHIF1ASLC22A6SLC22A8
SCHEMBL25039608 0.78 KDM4E (0.54) MAPTKDM4EHIF1ASLC22A6SLC22A8
SCHEMBL4817527 0.76 MAPT (0.51) MAPTCA1CA2CA9CA12
SCHEMBL9823319 0.76 ALDH1A1 (0.65) KDM4ECA9CA12ATMNAMPT
SCHEMBL18268222 0.76 KDM4E (0.59) MAPTKDM4EHIF1ASLC22A6SLC22A8
SCHEMBL6941062 0.76 CACNA1B (0.62) MAPTKDM4EHIF1ASLC22A6SLC22A8

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-0239362-B1 ANTI-TUMOR AGENTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-12-04 EP disclosed