SCHEMBL7472352

SCHEMBL7472352

CCCCC(=O)Nc1ccc2[nH]c(-c3cc([N+](=O)[O-])cn3C)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
MAPT P10636 2/20 0.47
POLB P06746 1/20 0.47
EGFR P00533 1/20 0.43
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
TP53 P04637 2/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL7469531 0.96 MEN1 (0.45) MEN1KMT2AMAPTPOLBEGFR
SCHEMBL14224502 0.83 MAPT (0.49) MEN1KMT2AMAPTPOLBEGFR
SCHEMBL7466190 0.83 EGFR (0.43) MEN1KMT2AMAPTEGFRRAB9A
SCHEMBL8603119 0.79 SPHK2 (0.42) EGFRRAB9ANPC1CNR1CNR2
SCHEMBL14224669 0.77 MEN1 (0.49) MEN1KMT2AMAPTPOLBRAB9A
SCHEMBL5333969 0.76 CHEK2 (0.47) MEN1KMT2AMAPTPOLBRAB9A
SCHEMBL5559865 0.76 MEN1 (0.47) MEN1KMT2AMAPTPOLBRAB9A
SCHEMBL7471355 0.75 MAPT (0.43) MEN1KMT2AMAPTPOLBRAB9A
SCHEMBL9028656 0.75 HRAS (0.49) MEN1KMT2AMAPTPOLBEGFR
SCHEMBL7468134 0.74 MAPT (0.49) MEN1KMT2AMAPTPOLBEGFR

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 3 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
US-5852011-A Benzimidazole derivatives MITSUI CHEMICALS, INC. (JP) 1998-12-22 US disclosed
EP-0711768-A1 BENZIMIDAZOLE DERIVATIVE MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-05-15 EP disclosed