SCHEMBL7979674

SCHEMBL7979674

O=C(NCc1ccccc1C(F)(F)F)c1c[c]cc(Nc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 19/20 0.56
PPARG P37231 9/20 0.53
ROCK2 O75116 1/20 0.45
PRKD3 O94806 1/20 0.45
PRKCG P05129 1/20 0.45
PRKCB P05771 1/20 0.45
PRKCA P17252 1/20 0.45
PRKCH P24723 1/20 0.45
GRK2 P25098 1/20 0.45
GRK5 P34947 1/20 0.45
GRK3 P35626 1/20 0.45
PRKCI P41743 1/20 0.45
PRKCE Q02156 1/20 0.45
PRKCQ Q04759 1/20 0.45
PRKCZ Q05513 1/20 0.45
PRKCD Q05655 1/20 0.45
PRKD1 Q15139 1/20 0.45
GRK1 Q15835 1/20 0.45
GRK7 Q8WTQ7 1/20 0.45

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
SCHEMBL5847010 0.82 EPHX2 (0.56) EPHX2PPARG
SCHEMBL7147714 0.82 EPHX2 (0.56) EPHX2PPARG
SCHEMBL7674538 0.80 SIRT2 (0.51) PPARG
SCHEMBL5643051 0.79 EPHX2 (0.79) EPHX2PPARG
SCHEMBL7592814 0.76 HDAC6 (0.43)
SCHEMBL7597518 0.76 TP53 (0.50)
SCHEMBL3766559 0.74 KCNK3 (0.66) EPHX2ROCK2PRKD3PRKCGPRKCB
SCHEMBL7195286 0.73 KMT2A (0.52)
SCHEMBL28207104 0.71 EPHX2 (0.71) EPHX2PPARG
SCHEMBL3232626 0.71 EPHX2 (0.62) EPHX2PPARG

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
WO-2001087852-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL URACILS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-11-22 WO claimed
WO-2001087852-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL URACILS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-11-22 WO disclosed