SCHEMBL3242889

SCHEMBL3242889

O=Cc1cccc(-c2ccc(OCCN3CCOCC3)nc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MET P08581 1/20 0.45
KDR P35968 2/20 0.45
ATM Q13315 1/20 0.45
SIGMAR1 Q99720 3/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
POLB P06746 1/20 0.43
SRC P12931 1/20 0.42
PRKAB2 O43741 1/20 0.42
FLT1 P17948 1/20 0.42
FLT4 P35916 1/20 0.42
PRKAG1 P54619 1/20 0.42
PRKAA2 P54646 1/20 0.42
ACVR1 Q04771 1/20 0.42

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
SCHEMBL3241792 0.89 CD274 (0.49) KDM4ENPC1RAB9AKDRATM
SCHEMBL3247613 0.85 NPC1 (0.53) KDM4ENPC1RAB9AMETKDR
SCHEMBL21821894 0.84 HPGD (0.47) KDM4ESIGMAR1TSHRPOLB
SCHEMBL17687790 0.82 KDM4E (0.45) KDM4ENPC1RAB9ASIGMAR1TP53
SCHEMBL18810223 0.78 HRH3 (0.49) KDM4ESIGMAR1TSHR
SCHEMBL210600 0.77 KDM4E (0.62) KDM4ENPC1RAB9ATP53TSHR
SCHEMBL29417693 0.77 KDM4E (0.62) KDM4ENPC1RAB9ATP53TSHR
SCHEMBL3244371 0.76 CNR2 (0.67) KDM4ETSHRMEN1KMT2A
SCHEMBL3247942 0.74 CNR2 (0.57) KDM4ENPC1RAB9AMETKDR
SCHEMBL13356420 0.74 KDM4E (0.53) KDM4ENPC1RAB9AKDRSIGMAR1

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
WO-2010057833-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-05-27 WO claimed
WO-2010057833-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-05-27 WO disclosed
WO-2010057833-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-05-27 WO disclosed