SCHEMBL14431663

SCHEMBL14431663

Bc1cc(F)cc(CC#N)c1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ENPP2 Q13822 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
IDO1 P14902 2/20 0.31
MMP3 P08254 1/20 0.31

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
SCHEMBL10447959 0.86 KDM4E (0.43) KDM4ETDP1ENPP2MMP3
SCHEMBL8657492 0.86 KDM4E (0.43) KDM4ETDP1ENPP2CYP11B1CYP11B2
SCHEMBL1019992 0.86 KDM4E (0.43) KDM4ETDP1ENPP2CYP11B1CYP11B2
SCHEMBL25170271 0.77 CA12 (0.48) KDM4ETDP1ENPP2CYP11B1CYP11B2
SCHEMBL1072135 0.77 KDM4E (0.41) KDM4ETDP1ENPP2CYP11B1CYP11B2
SCHEMBL25808872 0.77 KDM4E (0.37) KDM4ETDP1ENPP2CYP11B1CYP11B2
SCHEMBL1401399 0.77 CYP4F2 (0.41) KDM4ETDP1ENPP2CYP11B1CYP11B2
SCHEMBL332715 0.77 KDM4E (0.37) KDM4ETDP1ENPP2CYP11B1CYP11B2
SCHEMBL20576683 0.77 KDM4E (0.37) KDM4ETDP1ENPP2CYP11B1CYP11B2
SCHEMBL25990556 0.77 KDM4E (0.37) KDM4ETDP1CYP11B1CYP11B2

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-1490371-B1 THIOPHENE-BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME BRISTOL MYERS SQUIBB CO (US) 2007-08-15 EP disclosed