SCHEMBL8987569

SCHEMBL8987569

CCC(=O)Nc1cccc(-c2nc3cc(C(=O)Nc4ccc(N(CCCl)CCCl)cc4)ccc3[nH]2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.53
MEN1 O00255 7/20 0.53
KMT2A Q03164 7/20 0.53
KDM4E B2RXH2 5/20 0.53
POLB P06746 3/20 0.53
RECQL P46063 2/20 0.53
NPC1 O15118 1/20 0.53
THRB P10828 1/20 0.53
RAB9A P51151 1/20 0.53
ATM Q13315 1/20 0.53
TP53 P04637 6/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
COMT P21964 2/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP13 P45452 1/20 0.50
MAPK1 P28482 2/20 0.47
NR2E3 Q9Y5X4 1/20 0.47
ALDH1A1 P00352 3/20 0.45

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
SCHEMBL8987549 0.90 MAPT (0.49) MAPTMEN1KMT2AKDM4EPOLB
Hydrochloric Acid SCHEMBL8987608 0.86 MAPT (0.48) MAPTMEN1KMT2AKDM4EPOLB
Hydrochloric Acid SCHEMBL8987491 0.84 KDM4E (0.48) MAPTMEN1KMT2AKDM4EPOLB
SCHEMBL8987520 0.83 MMP13 (0.54) MAPTMEN1KMT2AKDM4EPOLB
SCHEMBL8987648 0.81 MAPT (0.47) MAPTMEN1KMT2AKDM4EPOLB
SCHEMBL8987636 0.81 MAPT (0.47) MAPTMEN1KMT2AKDM4EPOLB
SCHEMBL8987815 0.80 HPSE (0.44) MAPTMEN1KMT2AKDM4EPOLB
Iodide SCHEMBL8987612 0.80 MAPT (0.46) MAPTMEN1KMT2AKDM4EPOLB
SCHEMBL8987682 0.80 MAPT (0.46) MAPTMEN1KMT2AKDM4EPOLB
SCHEMBL8987640 0.80 MAPT (0.50) 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