SCHEMBL20057575

SCHEMBL20057575

CCC(C)OCc1cc(C(=O)Nc2nc(-c3ccco3)c(C(=O)C3CCOCC3)s2)ccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.40
HPGD P15428 6/20 0.40
ALDH1A1 P00352 5/20 0.40
POLB P06746 5/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TP53 P04637 1/20 0.40
GLA P06280 1/20 0.40
ADORA2A P29274 6/20 0.39
ADORA1 P30542 6/20 0.39
L3MBTL1 Q9Y468 7/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
MAPT P10636 5/20 0.38
PKM P14618 2/20 0.38
LMNA P02545 2/20 0.38
USP2 O75604 3/20 0.37
TDP1 Q9NUW8 4/20 0.37

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
SCHEMBL846258 0.93 L3MBTL1 (0.40) KDM4EHPGDALDH1A1POLBNPC1
SCHEMBL846068 0.89 KDM4E (0.42) KDM4EHPGDALDH1A1POLBNPC1
SCHEMBL846336 0.89 ADORA2A (0.43) KDM4EHPGDALDH1A1POLBNPC1
SCHEMBL879472 0.88 ADORA2A (0.40) KDM4EHPGDALDH1A1POLBNPC1
SCHEMBL846130 0.85 L3MBTL1 (0.44) KDM4EHPGDALDH1A1POLBNPC1
SCHEMBL1254725 0.83 L3MBTL1 (0.45) KDM4EHPGDALDH1A1POLBNPC1
SCHEMBL846745 0.82 ROCK2 (0.47) KDM4EHPGDALDH1A1POLBHSD17B10
SCHEMBL1255710 0.81 L3MBTL1 (0.46) KDM4EHPGDALDH1A1POLBHSD17B10
SCHEMBL19112468 0.81 ADORA2A (0.37) KDM4EHPGDALDH1A1POLBNPC1
SCHEMBL19407357 0.81 PLTP (0.41) KDM4EHPGDALDH1A1POLBNPC1

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-B1 THERAPEUTIC AGENT FOR MOTOR DISORDERS KYOWA HAKKO KIRIN CO LTD (JP) 2018-04-18 EP disclosed