SCHEMBL16624080

SCHEMBL16624080

CCOC(=O)c1cc2c(s1)CCN(C(C)C)C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.45
TDP1 Q9NUW8 4/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
HDAC6 Q9UBN7 1/20 0.44
MAPT P10636 4/20 0.42
MAPK1 P28482 2/20 0.42
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
OGA O60502 1/20 0.39
TP53 P04637 2/20 0.39
LMNA P02545 3/20 0.39
RXFP1 Q9HBX9 2/20 0.39
NPC1 O15118 4/20 0.38
RAB9A P51151 3/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
ATM Q13315 1/20 0.38
POLB P06746 3/20 0.38

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
SCHEMBL11183646 0.91 TDP1 (0.46) KDM4ETDP1ALDH1A1HPGDL3MBTL1
SCHEMBL3310243 0.83 KDM4E (0.48) KDM4ETDP1ALDH1A1HPGDL3MBTL1
SCHEMBL976216 0.82 HDAC6 (0.55) KDM4ETDP1ALDH1A1HPGDL3MBTL1
SCHEMBL16396046 0.82 TDP1 (0.47) KDM4ETDP1ALDH1A1HPGDL3MBTL1
SCHEMBL3441905 0.81 HDAC6 (0.54) KDM4ETDP1ALDH1A1HPGDL3MBTL1
SCHEMBL11173311 0.80 L3MBTL1 (0.50) KDM4ETDP1ALDH1A1HPGDL3MBTL1
SCHEMBL7801200 0.80 HDAC6 (0.70) KDM4ETDP1ALDH1A1HPGDL3MBTL1
SCHEMBL8068658 0.78 KDM4E (0.44) KDM4ETDP1ALDH1A1HPGDL3MBTL1
SCHEMBL11178846 0.78 KDM4E (0.48) KDM4ETDP1ALDH1A1HPGDL3MBTL1
SCHEMBL11176901 0.78 KDM4E (0.48) KDM4ETDP1ALDH1A1HPGDL3MBTL1

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-3053917-A1 T-TYPE CALCIUM CHANNEL BLOCKER Nissan Chemical Industries, Ltd. (JP) 2016-08-10 EP disclosed
WO-2015050212-A1 T-TYPE CALCIUM CHANNEL BLOCKER 日産化学工業株式会社 2015-04-09 WO disclosed