SCHEMBL7214552

SCHEMBL7214552

CCN(CC)c1nccc(C(=O)O)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.51
KDM4E B2RXH2 9/20 0.46
KDM5A P29375 2/20 0.46
KDM3A Q9Y4C1 2/20 0.46
JMJD1C Q15652 1/20 0.46
ALDH1A1 P00352 6/20 0.42
ALOX15 P16050 2/20 0.41
TSHR P16473 2/20 0.41
ACMSD Q8TDX5 1/20 0.41
MAPT P10636 5/20 0.39
KDM6B O15054 1/20 0.39
TET3 O43151 1/20 0.39
KDM4A O75164 1/20 0.39
BBOX1 O75936 1/20 0.39
KDM5C P41229 1/20 0.39
ASPH Q12797 1/20 0.39
KDM4D Q6B0I6 1/20 0.39
TET2 Q6N021 1/20 0.39
ALKBH5 Q6P6C2 1/20 0.39
KDM7A Q6ZMT4 1/20 0.39

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
SCHEMBL6325352 0.79 KDM4E (0.55) TDP1KDM4EKDM5AKDM3AJMJD1C
SCHEMBL2833446 0.77 CRHR1 (0.43)
SCHEMBL27797493 0.75 TDP1 (0.35) TDP1KDM4EMAPTACACBMEN1
SCHEMBL6981215 0.75 HRH3 (0.45) TDP1KDM4EKDM5AKDM3AJMJD1C
SCHEMBL9952304 0.74 KDM4E (0.49) TDP1KDM4EKDM5AKDM3AJMJD1C
SCHEMBL9943692 0.74 ALDH1A1 (0.67) KDM4EKDM5AKDM3AALDH1A1ALOX15
SCHEMBL1180064 0.74 KDM4E (0.48) TDP1KDM4EALDH1A1ALOX15TSHR
SCHEMBL29825918 0.72 KDM4E (0.47) TDP1KDM4EKDM5AKDM3AJMJD1C
SCHEMBL2012249 0.71 MAPK8 (0.52) TDP1KDM4EKDM5AKDM3AJMJD1C
SCHEMBL7492564 0.71 KDM4E (0.55) TDP1KDM4EALOX15TSHRACMSD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6509361-B1 Inhibit the activity of p38 MAP kinase. Also contemplated by the invention are processes for the preparation of the contemplated compounds and for the use of a contemplated compound in treating a mammalian host having a p38 kinase or PHARMACIA CORPORATION 2003-01-21 US disclosed
EP-1077971-A1 1,5-DIARYL SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS G.D. SEARLE & CO. (US) 2001-02-28 EP disclosed
WO-1999058523-A1 1,5-DIARYL SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS G.D. SEARLE & CO. (US) 1999-11-18 WO disclosed