SCHEMBL8556370

SCHEMBL8556370

CCOc1ccc(C)c(NCc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
L3MBTL1 Q9Y468 5/20 0.51
APAF1 O14727 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
HPGD P15428 2/20 0.47
P2RX7 Q99572 1/20 0.47
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
FGFR1 P11362 1/20 0.44
POLB P06746 3/20 0.43
FFAR1 O14842 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
ADRA2C P18825 1/20 0.43

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
SCHEMBL8554663 0.88 BCHE (0.53) HDAC8HDAC1HDAC6L3MBTL1MAPT
SCHEMBL10975012 0.88 MAPT (0.52) L3MBTL1APAF1SMN1; SMN2MAPTALDH1A1
SCHEMBL8557712 0.84 HDAC1 (0.54) HDAC8HDAC1HDAC6L3MBTL1SMN1; SMN2
SCHEMBL29351902 0.77 HDAC8 (0.59) HDAC8HDAC1HDAC6SMN1; SMN2MAPT
SCHEMBL5608865 0.77 HDAC8 (0.59) HDAC8HDAC1HDAC6SMN1; SMN2MAPT
SCHEMBL25485 0.76 POLB (0.64) L3MBTL1SMN1; SMN2MAPTALDH1A1HPGD
SCHEMBL25683657 0.75 NQO1 (0.48) MAPTALDH1A1HPGDP2RX7MEN1
SCHEMBL15854548 0.74 HDAC8 (0.60) HDAC8HDAC1HDAC6SMN1; SMN2MAPT
SCHEMBL11445680 0.74 HDAC8 (0.56) HDAC8HDAC1HDAC6SMN1; SMN2MAPT
SCHEMBL12871405 0.74 HDAC8 (0.56) HDAC8HDAC1HDAC6L3MBTL1SMN1; SMN2

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