SCHEMBL6664864

SCHEMBL6664864

O=C(NCc1ccc(F)cc1)c1ccc2c(c1)C(=O)C(CCc1ccc(Cl)c(Cl)c1)C(=O)N2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
LMNA P02545 3/20 0.47
TP53 P04637 3/20 0.47
CNR1 P21554 1/20 0.47
EPHX2 P34913 1/20 0.45
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
PPARG P37231 1/20 0.44
WDR5 P61964 1/20 0.43
MAOB P27338 1/20 0.43
POLB P06746 2/20 0.41
SSTR3 P32745 3/20 0.41
THRB P10828 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL6678534 0.91 MAPT (0.48) MAPTLMNATP53CNR1EPHX2
SCHEMBL6670431 0.89 ALDH1A1 (0.51) MAPTLMNAEPHX2HDAC4HDAC1
SCHEMBL6680500 0.84 MAPT (0.47) MAPTLMNATP53CNR1EPHX2
SCHEMBL6684875 0.84 MAPT (0.49) MAPTLMNATP53CNR1PPARG
SCHEMBL6684559 0.83 MAPT (0.53) MAPTLMNATP53CNR1PPARG
SCHEMBL6665661 0.81 ALDH1A1 (0.51) MAPTLMNATP53CNR1HDAC8
SCHEMBL6679778 0.80 MAPT (0.47) MAPTLMNATP53CNR1PPARG
SCHEMBL6683273 0.79 MAPT (0.49) MAPTLMNATP53CNR1HDAC8
SCHEMBL6664618 0.79 ALDH1A1 (0.53) MAPTLMNAEPHX2HDAC4HDAC1
SCHEMBL6681366 0.79 MAPT (0.56) MAPTLMNATP53CNR1POLB

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
WO-2004014388-A1 6,6-FUSED HETEROARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO disclosed