SCHEMBL8554663

SCHEMBL8554663

Cc1ccc(OCc2ccccc2)cc1NCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.53
MEN1 O00255 2/20 0.51
GAA P10253 2/20 0.51
MAPT P10636 2/20 0.51
BLM P54132 2/20 0.51
KMT2A Q03164 2/20 0.51
TP53 P04637 1/20 0.51
ATM Q13315 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
MAOB P27338 5/20 0.50
F2 P00734 1/20 0.50
ALOX5 P09917 1/20 0.50
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
THRB P10828 1/20 0.49
PKM P14618 1/20 0.49
RAB9A P51151 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL8556370 0.88 HDAC8 (0.51) MEN1GAAMAPTKMT2AHDAC1
SCHEMBL8557712 0.84 HDAC1 (0.54) MEN1GAAMAPTKMT2ATP53
SCHEMBL26756882 0.84 ALOX5 (0.53) BCHEMEN1GAAMAPTKMT2A
Hydrochloric Acid SCHEMBL2866995 0.82 ALOX5 (0.50) BCHEMEN1GAAMAPTKMT2A
Hydrochloric Acid SCHEMBL26633523 0.81 ALOX5 (0.49) BCHEMEN1KMT2AHDAC6MAOB
Hydrochloric Acid SCHEMBL30629665 0.81 ALOX5 (0.49) BCHEMEN1KMT2AHDAC6MAOB
SCHEMBL26756812 0.79 ALOX5 (0.47) BCHEMEN1KMT2AMAOBALOX5
SCHEMBL8335885 0.79 ALOX5 (0.61) MEN1GAAMAPTKMT2AHDAC6
SCHEMBL3425509 0.77 CTDSP1 (0.53) MEN1GAAMAPTKMT2AHDAC6
SCHEMBL27711218 0.77 MAOB (0.53) BCHEMEN1GAAMAPTBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0653426-B1 Indole derivatives, salts thereof and heart affection therapeutic agent comprising the same KOWA CO (JP) 1998-07-22 EP disclosed
US-5510366-A INOTROPIC, ANTIARRHYMTHMIA AGENTS, VASODILATORS KOWA CO., LTD. (JP) 1996-04-23 US disclosed
EP-0653426-A1 Indole derivatives, salts thereof and heart affection therapeutic agent comprising the same KOWA COMPANY, LTD. (JP) 1995-05-17 EP disclosed