SCHEMBL6985789

SCHEMBL6985789

O=C(c1ccnc(C(=O)N(Cc2cccc3ccccc23)Cc2cccc3ccccc23)c1)N(Cc1cccc2ccccc12)Cc1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
KDM4A O75164 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
MC4R P32245 2/20 0.40
MC5R P33032 2/20 0.40
MC1R Q01726 2/20 0.40
MC3R P41968 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CFTR P13569 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MTNR1A P48039 1/20 0.38

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
SCHEMBL6985787 0.93 KDM4A (0.50) HDAC1HDAC6KDM4AKDM4CCYP1A2
SCHEMBL6987326 0.82 ALDH1A1 (0.43) KDM4AKDM4CCYP1A2CYP2D6CYP2C19
SCHEMBL6989757 0.82 MAPT (0.47) KDM4AKDM4CALDH1A1SMN1; SMN2HTT
SCHEMBL6989518 0.82 ALDH1A1 (0.46) KDM4AKDM4CCYP1A2CYP2C19ALDH1A1
SCHEMBL6235626 0.80 GPBAR1 (0.47) HDAC1HDAC6KDM4AKDM4CALDH1A1
SCHEMBL6988723 0.79 SMN1; SMN2 (0.47) KDM4AKDM4CCYP1A2CYP2D6CYP2C19
SCHEMBL5210605 0.78 CFTR (0.55) HDAC1HDAC6KDM4AKDM4CALDH1A1
SCHEMBL6123062 0.74 TSHR (0.50) HDAC1HDAC6ALDH1A1HTTTRPM8
SCHEMBL6235628 0.73 KDM4C (0.48) HDAC1HDAC6KDM4AKDM4CALDH1A1
SCHEMBL6236957 0.73 MAPT (0.51) KDM4CALDH1A1SMN1; SMN2CFTRMAPT

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