SCHEMBL8987549

SCHEMBL8987549

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.49
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
KDM4E B2RXH2 4/20 0.49
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49
THRB P10828 1/20 0.49
RECQL P46063 1/20 0.49
ATM Q13315 1/20 0.49
MMP2 P08253 4/20 0.47
MMP9 P14780 4/20 0.47
MMP8 P22894 4/20 0.47
COMT P21964 2/20 0.47
MMP13 P45452 2/20 0.47
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
TP53 P04637 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
SCHEMBL8987636 0.91 MAPT (0.47) MAPTKMT2AMEN1KDM4ERAB9A
SCHEMBL8987648 0.91 MAPT (0.47) MAPTKMT2AMEN1KDM4ERAB9A
SCHEMBL8987569 0.90 MAPT (0.53) MAPTKMT2AMEN1KDM4ERAB9A
SCHEMBL7471663 0.85 HRAS (0.46) MAPTKMT2AMEN1NPC1POLB
Hydrochloric Acid SCHEMBL8987491 0.84 KDM4E (0.48) MAPTKMT2AMEN1KDM4ERAB9A
Hydrochloric Acid SCHEMBL8987608 0.83 MAPT (0.48) MAPTKMT2AMEN1KDM4ERAB9A
Iodide SCHEMBL8987612 0.80 MAPT (0.46) MAPTKMT2AMEN1KDM4ERAB9A
SCHEMBL8987520 0.80 MMP13 (0.54) MAPTKMT2AMEN1KDM4ERAB9A
SCHEMBL7470847 0.77 HRAS (0.39) MAPTKMT2AMEN1POLBMAPK1
SCHEMBL7470676 0.77 HRAS (0.39) MAPTKMT2AMEN1POLBMAPK1

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