SCHEMBL879472

SCHEMBL879472

CCCOCc1cc(C(=O)Nc2nc(-c3ccco3)c(C(=O)C3CCOCC3)s2)ccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.40
ADORA1 P30542 8/20 0.40
L3MBTL1 Q9Y468 7/20 0.39
KDM4E B2RXH2 4/20 0.39
POLB P06746 4/20 0.39
HPGD P15428 4/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 3/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
HSD17B10 Q99714 2/20 0.39
PKM P14618 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
GLA P06280 1/20 0.39
LMNA P02545 1/20 0.39
USP2 O75604 2/20 0.38
LRRK2 Q5S007 1/20 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
SCHEMBL846068 0.94 KDM4E (0.42) ADORA2AADORA1L3MBTL1KDM4EPOLB
SCHEMBL846336 0.91 ADORA2A (0.43) ADORA2AADORA1L3MBTL1KDM4EPOLB
SCHEMBL846258 0.89 L3MBTL1 (0.40) ADORA2AADORA1L3MBTL1KDM4EPOLB
SCHEMBL20057575 0.88 KDM4E (0.40) ADORA2AADORA1L3MBTL1KDM4EPOLB
SCHEMBL846130 0.86 L3MBTL1 (0.44) ADORA2AADORA1L3MBTL1KDM4EPOLB
SCHEMBL1254725 0.84 L3MBTL1 (0.45) ADORA2AADORA1L3MBTL1KDM4EPOLB
SCHEMBL846745 0.84 ROCK2 (0.47) ADORA2AADORA1L3MBTL1KDM4EPOLB
SCHEMBL1255710 0.82 L3MBTL1 (0.46) ADORA2AADORA1L3MBTL1KDM4EPOLB
SCHEMBL879501 0.81 KDM5C (0.44) ADORA2AADORA1L3MBTL1KDM4EPOLB
SCHEMBL1257266 0.81 L3MBTL1 (0.48) ADORA2AADORA1L3MBTL1KDM4EPOLB

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
EP-2433938-A1 THERAPEUTIC AGENT FOR MOTOR DISORDERS Kyowa Hakko Kirin Co., Ltd. (JP) 2012-03-28 EP disclosed