SCHEMBL10353391

SCHEMBL10353391

CC(=O)N1C(=O)CCSc2ccc(Cl)cc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.57
MAPT P10636 1/20 0.56
ALDH1A1 P00352 3/20 0.55
MEN1 O00255 2/20 0.54
HTT P42858 2/20 0.54
KMT2A Q03164 2/20 0.54
NPSR1 Q6W5P4 3/20 0.53
HSD17B3 P37058 3/20 0.48
VHL P40337 1/20 0.47
ELOC Q15369 1/20 0.47
ELOB Q15370 1/20 0.47
GSK3B P49841 1/20 0.45
NOTUM Q6P988 3/20 0.43
PKM P14618 1/20 0.41
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
PPARG P37231 1/20 0.39
RAB9A P51151 1/20 0.39
NR2E3 Q9Y5X4 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
SCHEMBL8853329 0.80 GSK3B (0.68) LMNAMAPTMEN1KMT2AHSD17B3
SCHEMBL9442261 0.74 NOTUM (0.59) KMT2AHSD17B3NOTUM
SCHEMBL3526981 0.72 NOTUM (0.61) MAPTMEN1KMT2AHSD17B3NOTUM
SCHEMBL29875631 0.72 NOTUM (0.61) MAPTMEN1KMT2AHSD17B3NOTUM
SCHEMBL9629768 0.71 GSK3B (0.57) MEN1KMT2AHSD17B3GSK3BNOTUM
SCHEMBL9843864 0.71 NOTUM (0.56) HSD17B3NOTUMNCOR2
SCHEMBL8870414 0.70 NOX1 (0.73) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL9045039 0.69 NOTUM (0.61) MAPTMEN1KMT2AHSD17B3NOTUM
SCHEMBL9778382 0.69 NOX1 (0.54) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL8853311 0.68 GSK3B (0.68) LMNAMAPTMEN1HTTKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0292824-B1 PROCESS FOR THE NUCLEAR CHLORINATION OF AROMATIC HYDROCARBONS BAYER AG (DE) 1990-08-01 EP disclosed
US-4851596-A Process for nucleus-chlorination of aromatic hydrocarbons BAYER AKTIENGESELLSCHAFT (DE) 1989-07-25 US disclosed