SCHEMBL8987682

SCHEMBL8987682

Cc1cc(NC(=O)c2ccc3[nH]c(-c4cccc(NC(=O)Cc5ccncc5)c4)nc3c2)ccc1N(CCCl)CCCl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.46
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
KDM4E B2RXH2 5/20 0.46
POLB P06746 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
RECQL P46063 2/20 0.46
THRB P10828 1/20 0.46
ATM Q13315 1/20 0.46
COMT P21964 2/20 0.43
MMP2 P08253 2/20 0.43
MMP9 P14780 2/20 0.43
MMP8 P22894 2/20 0.43
MMP13 P45452 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
TP53 P04637 4/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
HTT P42858 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) MAPTMEN1KMT2AKDM4EPOLB
SCHEMBL8987636 0.86 MAPT (0.47) MAPTMEN1KMT2AKDM4EPOLB
Iodide SCHEMBL8987612 0.85 MAPT (0.46) MAPTMEN1KMT2AKDM4EPOLB
Hydrochloric Acid SCHEMBL8987633 0.84 MAPT (0.45) MAPTMEN1KMT2AKDM4EPOLB
SCHEMBL8987684 0.84 MAPT (0.45) MAPTMEN1KMT2AKDM4EPOLB
SCHEMBL8987678 0.82 MMP2 (0.52) MAPTMEN1KMT2AKDM4EPOLB
Hydrochloric Acid SCHEMBL8987710 0.82 KDM4E (0.43) MAPTMEN1KMT2AKDM4EPOLB
SCHEMBL8987569 0.80 MAPT (0.53) MAPTMEN1KMT2AKDM4EPOLB
SCHEMBL8987648 0.79 MAPT (0.47) MAPTMEN1KMT2AKDM4EPOLB
SCHEMBL8987549 0.77 MAPT (0.49) MAPTMEN1KMT2AKDM4EPOLB

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