SCHEMBL6989053

SCHEMBL6989053

O=C(O)c1ccnc(C(=O)N(Cc2cccs2)Cc2cccs2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
KDM4A O75164 2/20 0.49
KDM5C P41229 2/20 0.49
KDM5B Q9UGL1 2/20 0.49
KDM4E B2RXH2 1/20 0.49
KDM6B O15054 1/20 0.49
TET3 O43151 1/20 0.49
BBOX1 O75936 1/20 0.49
MAPT P10636 1/20 0.49
KDM5A P29375 1/20 0.49
ASPH Q12797 1/20 0.49
KDM4D Q6B0I6 1/20 0.49
TET2 Q6N021 1/20 0.49
ALKBH5 Q6P6C2 1/20 0.49
KDM7A Q6ZMT4 1/20 0.49
KDM8 Q8N371 1/20 0.49
TET1 Q8NFU7 1/20 0.49
EGLN2 Q96KS0 1/20 0.49
FTO Q9C0B1 1/20 0.49
EGLN1 Q9GZT9 1/20 0.49

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
SCHEMBL6123062 0.92 TSHR (0.50) ALDH1A1MAPTTSHRPOLBTDP1
SCHEMBL5210601 0.80 KDM4E (0.56) ALDH1A1KDM4AKDM5CKDM5BKDM4E
SCHEMBL6238397 0.79 ALDH1A1 (0.54) ALDH1A1KDM4AKDM5CKDM5BKDM4E
SCHEMBL6985787 0.75 KDM4A (0.50) ALDH1A1KDM4AKDM5CKDM5BKDM4E
SCHEMBL5808530 0.75 ALDH1A1 (0.65) ALDH1A1KDM4AKDM5CKDM5BKDM4E
SCHEMBL6122018 0.75 TSHR (0.57) ALDH1A1KDM4EMAPTTSHRPOLB
SCHEMBL6987911 0.74 ALDH1A1 (0.49) ALDH1A1KDM4AKDM5CKDM5BKDM4E
SCHEMBL6123024 0.74 HDAC1 (0.72) ALDH1A1MAPTTSHRPOLBTDP1
SCHEMBL6235628 0.73 KDM4C (0.48) ALDH1A1KDM4AKDM5CKDM5BKDM4E
SCHEMBL6987023 0.73 USP2 (0.49) ALDH1A1KDM4AKDM5CKDM5BKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1362033-A1 PYRIDINE MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-11-19 EP claimed
WO-2002064568-A1 PYRIDINE MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO claimed