SCHEMBL7474162

SCHEMBL7474162

Cn1cc(C=O)cc1-c1nc2cc(C(=O)NCCC(=N)N)ccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRAS P01112 5/20 0.41
ESR1 P03372 5/20 0.41
ESR2 Q92731 5/20 0.41
TOP1 P11387 2/20 0.41
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
HIF1A Q16665 1/20 0.40
FLT3 P36888 5/20 0.37
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 0.35
HDAC6 Q9UBN7 1/20 0.35
NAMPT P43490 1/20 0.34
F9 P00740 1/20 0.34
SMN1; SMN2 Q16637 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
Hydrochloric Acid SCHEMBL7467353 0.89 MAPT (0.53) HRASESR1ESR2TOP1MAPT
SCHEMBL7465939 0.84 MAPT (0.43) HRASESR1ESR2MAPTPOLB
Hydrochloric Acid SCHEMBL7462715 0.83 MAPT (0.42) HRASESR1ESR2MAPTKDM4E
Hydrochloric Acid SCHEMBL7471319 0.82 HRAS (0.48) HRASESR1ESR2TOP1MAPT
Hydrochloric Acid SCHEMBL7466531 0.82 MAPT (0.47) HRASESR1ESR2TOP1MAPT
Hydrochloric Acid SCHEMBL7472116 0.81 HRAS (0.42) HRASESR1ESR2TOP1MAPT
Hydrochloric Acid SCHEMBL7470286 0.81 HRAS (0.40) HRASESR1ESR2TOP1MAPT
Hydrochloric Acid SCHEMBL7471330 0.77 HRAS (0.55) HRASESR1ESR2TOP1MAPT
Hydrochloric Acid SCHEMBL7475008 0.77 HRAS (0.64) HRASESR1ESR2TOP1MAPT
Hydrochloric Acid SCHEMBL7465502 0.77 HRAS (0.58) HRASESR1ESR2TOP1MAPT

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