SCHEMBL6954084

SCHEMBL6954084

COC(=O)/C(=C\c1ccccc1Br)C(C)=O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
NPSR1 Q6W5P4 2/20 0.51
POLB P06746 2/20 0.44
LY96 Q9Y6Y9 1/20 0.43
HPGD P15428 1/20 0.43
HSD11B1 P28845 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
PLIN1 O60240 1/20 0.40
PLIN5 Q00G26 1/20 0.40
KMT2A Q03164 1/20 0.40
ABHD5 Q8WTS1 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
SCHEMBL6954090 1.00 MAPT (0.51) MAPTNPSR1POLBLY96HPGD
SCHEMBL7384129 0.82 MAPT (0.53) MAPTNPSR1POLBCYP1A2CYP3A4
SCHEMBL7384130 0.82 MAPT (0.53) MAPTNPSR1POLBCYP1A2CYP3A4
SCHEMBL7378695 0.81 CYP1A2 (0.63) MAPTNPSR1POLBCYP1A2CYP3A4
SCHEMBL10353470 0.81 MAPT (0.61) MAPTNPSR1POLBCYP3A4CYP2C9
SCHEMBL3194980 0.81 MAPT (0.55) MAPTNPSR1POLBCYP1A2CYP3A4
SCHEMBL7378697 0.81 CYP1A2 (0.63) MAPTNPSR1POLBCYP1A2CYP3A4
SCHEMBL3183430 0.81 MAPT (0.55) MAPTNPSR1POLBCYP1A2CYP3A4
SCHEMBL11002399 0.81 MAPT (0.61) MAPTNPSR1POLBCYP3A4CYP2C9
SCHEMBL7978583 0.79 MAPT (0.42) MAPTNPSR1HPGDCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1023267-B1 PYRIDYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CERMOL SA (CH) 2003-09-17 EP disclosed
US-6482841-B1 Pyridyl compounds and pharmaceutical compositions containing them CERMOL S.A. (CH) 2002-11-19 US disclosed
EP-1023267-A1 PYRIDYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CERMOL S.A. (CH) 2000-08-02 EP disclosed
WO-1999019302-A1 PYRIDYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CERMOL S.A. (CH) 1999-04-22 WO disclosed