SCHEMBL8539055

SCHEMBL8539055

NC[n+]1ccccc1.O=C(Cl)Cl

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
PABPC1 P11940 1/20 0.37
BCHE P06276 4/20 0.35
ACHE P22303 3/20 0.35
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL719866 0.84
Iodide SCHEMBL9122888 0.81
Hydrochloric Acid SCHEMBL8770190 0.81
Iodide SCHEMBL9865183 0.78 BCHE (0.41) BCHEACHE
Benzene SCHEMBL10763850 0.67 CA1 (0.40) ACHEALDH1A1MAPK1
Hydrochloric Acid SCHEMBL313875 0.67 BCHE (0.42) BCHEACHE
SCHEMBL5562270 0.67 KMT2A (0.50) KMT2APABPC1ACHEKDM4EMEN1
SCHEMBL19037380 0.65 KMT2A (0.54) KMT2APABPC1BCHEACHEKDM4E
SCHEMBL171879 0.65 KMT2A (0.54) KMT2APABPC1BCHEACHEKDM4E
Hydrochloric Acid SCHEMBL614210 0.65 KMT2A (0.48) KMT2APABPC1ACHEKDM4EMEN1

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
US-5854279-A Therapeutic agent for dermatosis EISAI CO., LTD (JP) 1998-12-29 US disclosed