SCHEMBL8987684

SCHEMBL8987684

O=C(Cc1cccnc1)Nc1cccc(-c2nc3cc(C(=O)Nc4ccc(N(CCCl)CCCl)c(Cl)c4)ccc3[nH]2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
POLB P06746 4/20 0.45
KDM4E B2RXH2 3/20 0.45
RECQL P46063 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
THRB P10828 1/20 0.45
ATM Q13315 1/20 0.45
TP53 P04637 4/20 0.44
ALDH1A1 P00352 4/20 0.44
GFER P55789 1/20 0.44
LMNA P02545 2/20 0.43
NR2E3 Q9Y5X4 1/20 0.43
HTT P42858 2/20 0.43
HPGD P15428 2/20 0.42
MAPK1 P28482 1/20 0.42
MAPK10 P53779 1/20 0.42
PTK2B Q14289 1/20 0.42

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
SCHEMBL8987463 0.92 MAPT (0.44) MAPTMEN1KMT2APOLBKDM4E
SCHEMBL8987682 0.84 MAPT (0.46) MAPTMEN1KMT2APOLBKDM4E
SCHEMBL8987648 0.83 MAPT (0.47) MAPTMEN1KMT2APOLBKDM4E
Hydrochloric Acid SCHEMBL8987450 0.82 MAPT (0.45) MAPTMEN1KMT2APOLBKDM4E
SCHEMBL8987640 0.81 MAPT (0.50) MAPTMEN1KMT2APOLBKDM4E
SCHEMBL8987554 0.80 MMP13 (0.49) MAPTMEN1KMT2APOLBKDM4E
Hydrochloric Acid SCHEMBL8987701 0.80 KDM4E (0.43) MAPTMEN1KMT2APOLBKDM4E
SCHEMBL8987569 0.77 MAPT (0.53) MAPTMEN1KMT2APOLBKDM4E
SCHEMBL8987636 0.76 MAPT (0.47) MAPTMEN1KMT2APOLBKDM4E
Iodide SCHEMBL8987612 0.76 MAPT (0.46) MAPTMEN1KMT2APOLBKDM4E

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-0719765-A2 Phenylbenzimidazole derivatives MITSUI TOATSU CHEMICALS, INC. (JP) 1996-07-03 EP disclosed