SCHEMBL7470540

SCHEMBL7470540

Cn1cc(NC(=O)c2ccc(N(CCCl)CCCl)cc2)cc1-c1nc2cc(C(=O)NCc3cccnc3)ccc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NAMPT P43490 12/20 0.44
ALDH1A1 P00352 2/20 0.43
HTT P42858 2/20 0.43
HRAS P01112 2/20 0.43
ESR1 P03372 2/20 0.43
ESR2 Q92731 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
ABL1 P00519 1/20 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
Hydrochloric Acid SCHEMBL7468841 0.99 MEN1 (0.44) MEN1KMT2ANAMPTALDH1A1HTT
Hydrochloric Acid SCHEMBL7477192 0.89 HRAS (0.42) MEN1KMT2ANAMPTHRASESR1
SCHEMBL7472023 0.87 HRAS (0.51) MEN1KMT2AHRASESR1ESR2
Hydrochloric Acid SCHEMBL7466261 0.85 HRAS (0.49) MEN1KMT2AALDH1A1HRASESR1
Hydrochloric Acid SCHEMBL7471999 0.84 HRAS (0.52) HRASESR1ESR2MAPT
Hydrochloric Acid SCHEMBL7477283 0.82 HRAS (0.50) MEN1KMT2AHRASESR1ESR2
Hydrochloric Acid SCHEMBL7475008 0.81 HRAS (0.64) HRASESR1ESR2MAPT
SCHEMBL7469237 0.81 HRAS (0.45) MEN1KMT2AHRASESR1ESR2
SCHEMBL7467474 0.81 HRAS (0.47) HRASESR1ESR2MAPT
SCHEMBL8298671 0.80 HRAS (0.46) MEN1KMT2AALDH1A1HRASESR1

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