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
SCHEMBL6989757 0.82 MAPT (0.47) KDM4AKDM4CALDH1A1SMN1; SMN2HTT
SCHEMBL6987326 0.82 ALDH1A1 (0.43) KDM4AKDM4CCYP1A2CYP2D6CYP2C19
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
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