SCHEMBL8557712

SCHEMBL8557712

COc1ccc(C)c(NCc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
TACR3 P29371 1/20 0.53
RAB9A P51151 3/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
MAPT P10636 3/20 0.53
NPC1 O15118 2/20 0.53
LMNA P02545 2/20 0.53
ACP1 P24666 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
EGFR P00533 2/20 0.50
TP53 P04637 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ABCB1 P08183 1/20 0.50
ABCG2 Q9UNQ0 1/20 0.50
NCF1 P14598 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 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
SCHEMBL11037476 0.87 GAA (0.59) TACR3RAB9AL3MBTL1MAPTNPC1
SCHEMBL17714698 0.84 ADRA2C (0.58) HDAC1RAB9AL3MBTL1MAPTNPC1
SCHEMBL8556370 0.84 HDAC8 (0.51) HDAC1HDAC8HDAC6L3MBTL1MAPT
SCHEMBL8554663 0.84 BCHE (0.53) HDAC1HDAC8HDAC6RAB9AL3MBTL1
SCHEMBL30691740 0.84 HDAC8 (0.60) HDAC1HDAC8HDAC6TACR3L3MBTL1
SCHEMBL17714700 0.83 RAB9A (0.57) RAB9ALMNATP53SMN1; SMN2ALDH1A1
SCHEMBL6814420 0.83 NCF1 (0.54) HDAC1TACR3RAB9AL3MBTL1NPC1
SCHEMBL5511518 0.83 TDP1 (0.57) HDAC1HDAC8HDAC6TACR3RAB9A
SCHEMBL6689330 0.83 LMNA (0.55) HDAC1HDAC8HDAC6TACR3RAB9A
SCHEMBL10787691 0.81 RAB9A (0.55) TACR3RAB9AMAPTNPC1ACP1

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