SCHEMBL27680966

SCHEMBL27680966

Cc1ccc(-c2nccc(C(=O)O)n2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 10/20 0.46
KDM4E B2RXH2 3/20 0.41
KDM5A P29375 2/20 0.41
KDM3A Q9Y4C1 2/20 0.41
JMJD1C Q15652 1/20 0.41
SLC22A12 Q96S37 1/20 0.40
CYP1A2 P05177 2/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MAPT P10636 2/20 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
ALDH1A1 P00352 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

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
SCHEMBL34461785 0.82 XDH (0.56) XDHKDM4EKDM5AKDM3AJMJD1C
SCHEMBL2162964 0.79 CYP1A2 (0.57) KDM4ECYP1A2MAPTALDH1A1KMT2A
SCHEMBL27700143 0.79 XDH (0.50) XDHKDM4EKDM5AKDM3AJMJD1C
SCHEMBL8365585 0.78 HPGDS (0.46) CYP1A2ALDH1A1KMT2AHPGDSMEN1
SCHEMBL29859342 0.78 KMO (0.57) KDM4EKDM5AKDM3ASLC22A12MAPT
SCHEMBL1505808 0.77 KDM4E (0.57) XDHKDM4EKDM5AKDM3AJMJD1C
SCHEMBL696116 0.76 XDH (0.50) XDHKDM4EKDM5AKDM3AJMJD1C
SCHEMBL28988552 0.76 XDH (0.56) XDHKDM4EKDM5AKDM3AJMJD1C
SCHEMBL31301691 0.76 MAP4K4 (0.56) XDHKDM4EKDM5AKDM3AJMJD1C
Hydrochloric Acid SCHEMBL7968706 0.75 XDH (0.49) XDHKDM4EKDM5AKDM3AJMJD1C

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-101023063-A Azine-carboxamides as anti-cancer agents ASTRAZENECA AB (SE) 2007-08-22 CN disclosed