SCHEMBL7472023

SCHEMBL7472023

Cn1cc(NC(=O)c2ccc(N(CCCl)CCCl)cc2)cc1-c1nc2cc(C(=O)Nc3ccc(N(CCCl)CCCl)cc3)ccc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRAS P01112 8/20 0.51
ESR1 P03372 8/20 0.51
ESR2 Q92731 8/20 0.51
EGFR P00533 3/20 0.48
ERBB2 P04626 2/20 0.48
MAPT P10636 2/20 0.44
MAPK1 P28482 1/20 0.44
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
HPSE Q9Y251 2/20 0.41
DGAT1 O75907 1/20 0.39
RAD52 P43351 1/20 0.39
ERAP1 Q9NZ08 1/20 0.39
ABL1 P00519 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39

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
Hydrochloric Acid SCHEMBL7466261 0.96 HRAS (0.49) HRASESR1ESR2EGFRERBB2
Hydrochloric Acid SCHEMBL7477283 0.92 HRAS (0.50) HRASESR1ESR2EGFRERBB2
Hydrochloric Acid SCHEMBL7471999 0.91 HRAS (0.52) HRASESR1ESR2EGFRERBB2
SCHEMBL7469237 0.91 HRAS (0.45) HRASESR1ESR2EGFRERBB2
SCHEMBL8298671 0.91 HRAS (0.46) HRASESR1ESR2EGFRERBB2
Hydrochloric Acid SCHEMBL7470484 0.91 HRAS (0.47) HRASESR1ESR2EGFRERBB2
SCHEMBL7467693 0.91 HRAS (0.47) HRASESR1ESR2EGFRERBB2
SCHEMBL7471663 0.91 HRAS (0.46) HRASESR1ESR2EGFRERBB2
SCHEMBL7478831 0.89 HRAS (0.43) HRASESR1ESR2EGFRERBB2
SCHEMBL7470046 0.89 ESR2 (0.43) HRASESR1ESR2EGFRERBB2

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-0711768-B1 BENZIMIDAZOLE DERIVATIVE MITSUI CHEMICALS INC (JP) 2002-02-13 EP disclosed