SCHEMBL5082226

SCHEMBL5082226

CNC(=O)C(=Cc1cnc(N)c(C(C)C(=O)N(C)Cc2c(C)[nH]c3ccccc23)c1)Cc1c(C)[nH]c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
CASP1 P29466 2/20 0.37
CASP7 P55210 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
CYP3A4 P08684 1/20 0.36
NTRK1 P04629 1/20 0.35
HDAC1 Q13547 9/20 0.34
HDAC3 O15379 4/20 0.34
HDAC4 P56524 4/20 0.34
HDAC2 Q92769 4/20 0.34
HDAC8 Q9BY41 4/20 0.34
HDAC7 Q8WUI4 3/20 0.34
HDAC10 Q969S8 3/20 0.34
HDAC11 Q96DB2 3/20 0.34
HDAC6 Q9UBN7 3/20 0.34
HDAC9 Q9UKV0 3/20 0.34
HDAC5 Q9UQL6 3/20 0.34
KLK6 Q92876 1/20 0.34

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
SCHEMBL1093251 0.82 CYP3A4 (0.40) MAPTCYP3A4HDAC1HDAC3HDAC4
SCHEMBL726647 0.82 CYP3A4 (0.40) MAPTCYP3A4HDAC1HDAC3HDAC4
SCHEMBL726717 0.66 MAPT (0.49) MAPTCASP1CASP7KDM4EALDH1A1
SCHEMBL726718 0.66 MAPT (0.49) MAPTCASP1CASP7KDM4EALDH1A1
SCHEMBL726426 0.64 MAPT (0.47) MAPTCASP1CASP7KDM4EALDH1A1
SCHEMBL726425 0.64 MAPT (0.47) MAPTCASP1CASP7KDM4EALDH1A1
SCHEMBL1093253 0.64 CYP3A4 (0.40) MAPTCYP3A4HDAC1HDAC3HDAC4
SCHEMBL726646 0.64 CYP3A4 (0.40) MAPTCYP3A4HDAC1HDAC3HDAC4
SCHEMBL14303911 0.62 MAPT (0.69) MAPTCASP1CASP7KDM4EALDH1A1
SCHEMBL726940 0.62 MAPT (0.61) MAPTCASP1CASP7KDM4EALDH1A1

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
EP-1608377-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS AFFINIUM PHARM INC (CA) 2008-10-01 EP disclosed