SCHEMBL7470676

SCHEMBL7470676

CSCCC(=O)Nc1cc(-c2nc3cc(C(=O)Nc4ccc(N(CCCl)CCCl)c(C)c4)ccc3[nH]2)n(C)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRAS P01112 8/20 0.39
ESR1 P03372 8/20 0.39
ESR2 Q92731 8/20 0.39
EGFR P00533 1/20 0.38
DGAT1 O75907 5/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
CHEK1 O14757 1/20 0.34
LDLR P01130 1/20 0.33
EPHX2 P34913 1/20 0.33
HPSE Q9Y251 1/20 0.33

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
SCHEMBL7470847 0.93 HRAS (0.39) HRASESR1ESR2EGFRDGAT1
SCHEMBL7476267 0.92 HRAS (0.39) HRASESR1ESR2EGFRDGAT1
SCHEMBL7459798 0.91 HRAS (0.38) HRASESR1ESR2EGFRMAPT
SCHEMBL7471663 0.91 HRAS (0.46) HRASESR1ESR2EGFRMAPT
Hydrochloric Acid SCHEMBL7473594 0.90 HRAS (0.40) HRASESR1ESR2EGFRDGAT1
SCHEMBL7472043 0.87 HRAS (0.39) HRASESR1ESR2EGFRMAPT
SCHEMBL8987636 0.86 MAPT (0.47) MAPTMAPK1MEN1POLBKMT2A
Hydrochloric Acid SCHEMBL7471386 0.85 HRAS (0.44) HRASESR1ESR2EGFRDGAT1
SCHEMBL7467723 0.84 EGFR (0.34) HRASESR1ESR2EGFRMAPT
SCHEMBL7463992 0.83 MAPT (0.49) HRASESR1ESR2EGFRDGAT1

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-0711768-B1 BENZIMIDAZOLE DERIVATIVE MITSUI CHEMICALS INC (JP) 2002-02-13 EP disclosed
EP-0711768-A1 BENZIMIDAZOLE DERIVATIVE MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-05-15 EP disclosed