SCHEMBL8501853

SCHEMBL8501853

COc1c(C=O)cccc1-c1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 6/20 0.54
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
EGFR P00533 1/20 0.43
FGFR1 P11362 1/20 0.43
KDR P35968 1/20 0.43
CYP11B1 P15538 3/20 0.42
CYP11B2 P19099 3/20 0.42
CYP17A1 P05093 1/20 0.42
CYP19A1 P11511 1/20 0.42
PTGS2 P35354 1/20 0.41
SRC P12931 1/20 0.41
POLB P06746 2/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2E1 P05181 2/20 0.41
CYP2A6 P11509 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2B6 P20813 2/20 0.41

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
SCHEMBL8503115 0.83 CA1 (0.51) ERN1CA1CA2EGFRSRC
SCHEMBL1642697 0.81 CA1 (0.56) ERN1CA1CA2EGFRSRC
SCHEMBL11071868 0.80 ERN1 (0.51) ERN1PTGS2CYP3A4CYP2E1CYP2A6
SCHEMBL894805 0.79 ERN1 (0.57) ERN1MKNK1MKNK2CYP11B1CYP11B2
SCHEMBL5457794 0.78 POLB (0.55) ERN1MKNK1MKNK2EGFRFGFR1
SCHEMBL31591514 0.77 POLB (0.50) MKNK1MKNK2EGFRFGFR1KDR
SCHEMBL1578998 0.77 ERN1 (0.65) ERN1MKNK1MKNK2EGFRFGFR1
SCHEMBL7101000 0.76 ERN1 (0.54) ERN1CYP11B1CYP11B2CYP19A1PTGS2
SCHEMBL5736902 0.76 ERN1 (0.52) ERN1CA1CA2CYP3A4CYP2E1
SCHEMBL6040671 0.75 ERN1 (0.64) ERN1MKNK1MKNK2EGFRFGFR1

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-0938494-A1 INHIBITORS OF PROTEIN FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 1999-09-01 EP disclosed
WO-1997044350-A1 INHIBITORS OF PROTEIN FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 1997-11-27 WO disclosed