SCHEMBL3919958

SCHEMBL3919958

Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)nc2)cc1-c1ccc(C(=O)O)cc1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.66
CYP1A2 P05177 2/20 0.66
CYP2C19 P33261 1/20 0.66
KCNQ3 O43525 1/20 0.63
KCNQ2 O43526 1/20 0.63
SMN1; SMN2 Q16637 2/20 0.60
LMNA P02545 1/20 0.60
HTT P42858 1/20 0.60
STAT3 P40763 1/20 0.58
MAPK14 Q16539 2/20 0.57
MAPK13 O15264 1/20 0.57
HSPB1 P04792 1/20 0.57
MAPK12 P53778 1/20 0.57
MAPK11 Q15759 1/20 0.57
BRAF P15056 10/20 0.57
RAF1 P04049 8/20 0.57
DGAT1 O75907 1/20 0.56

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
SCHEMBL12323377 0.91 MAPT (0.65) MAPTCYP1A2CYP2C19KCNQ3KCNQ2
SCHEMBL1140599 0.90 MAPT (0.63) MAPTCYP1A2CYP2C19KCNQ3KCNQ2
SCHEMBL1140524 0.90 MAPT (0.63) MAPTCYP1A2CYP2C19KCNQ3KCNQ2
SCHEMBL1140654 0.89 MAPT (0.62) MAPTCYP1A2CYP2C19KCNQ3KCNQ2
SCHEMBL12323474 0.88 MAPT (0.61) MAPTCYP1A2CYP2C19KCNQ3KCNQ2
SCHEMBL1140865 0.87 MAPT (0.59) MAPTCYP1A2CYP2C19KCNQ3KCNQ2
SCHEMBL1140636 0.87 MAPT (0.59) MAPTCYP1A2CYP2C19KCNQ3KCNQ2
SCHEMBL1140500 0.86 MAPT (0.58) MAPTCYP1A2CYP2C19KCNQ3KCNQ2
SCHEMBL2346560 0.86 RARA (0.66) MAPTSMN1; SMN2LMNAMAPK14BRAF
SCHEMBL1140474 0.83 KCNQ3 (0.59) MAPTCYP1A2CYP2C19KCNQ3KCNQ2

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
EP-2038253-A1 BIPHENYL DERIVATIVES AND THEIR USE IN TREATING HEPATITIS C Arrow Therapeutics Limited (GB) 2009-03-25 EP disclosed
WO-2007138242-A1 BIPHENYL DERIVATIVES AND THEIR USE IN TREATING HEPATITIS C ARROW THERAPEUTICS LIMITED (GB) 2007-12-06 WO disclosed