SCHEMBL5019559

SCHEMBL5019559

CNNc1ncccc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.55
NPC1 O15118 4/20 0.55
KDM4E B2RXH2 2/20 0.55
L3MBTL1 Q9Y468 3/20 0.52
MAPT P10636 2/20 0.52
FDPS P14324 4/20 0.47
HTT P42858 1/20 0.46
ATM Q13315 1/20 0.46
NOS3 P29474 1/20 0.45
NOS1 P29475 1/20 0.45
NOS2 P35228 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KMT2A Q03164 1/20 0.45
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.41
KDR P35968 1/20 0.41

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
SCHEMBL30671581 0.82
SCHEMBL292777 0.82
SCHEMBL2400485 0.80
SCHEMBL15368480 0.79 NPC1 (0.61) RAB9ANPC1KDM4EL3MBTL1MAPT
SCHEMBL13654026 0.77 MAPT (0.38) RAB9ANPC1KDM4EL3MBTL1MAPT
SCHEMBL25775968 0.76
SCHEMBL838414 0.76
SCHEMBL31251527 0.76
SCHEMBL10616328 0.76
SCHEMBL10178914 0.75 RAB9A (0.51) RAB9ANPC1KDM4EL3MBTL1MAPT

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018064119-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS, INC. (US) 2018-04-05 WO disclosed
EP-2736887-A1 HYDRAZIDE CONTAINING NUCLEAR TRANSPORT MODULATORS AND USES THEREOF Karyopharm Therapeutics, Inc. (US) 2014-06-04 EP disclosed
WO-2013071264-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF INTELLIKINE, LLC (US) 2013-05-16 WO disclosed
WO-2013019548-A1 HYDRAZIDE CONTAINING NUCLEAR TRANSPORT MODULATORS AND USES THEREOF KARYOPHARM THERAPEUTICS, INC. (US) 2013-02-07 WO disclosed
WO-2012148540-A1 COMBINATION OF KANASE INHIBITORS AND USES THREOF INTELLIKINE, LLC (US) 2012-11-01 WO disclosed
WO-2012116237-A2 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, LLC (US) 2012-08-30 WO disclosed
WO-2012064973-A2 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. (US) 2012-05-18 WO disclosed
WO-2011149937-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, INC. (US) 2011-12-01 WO disclosed
WO-2011022439-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, INC. (US) 2011-02-24 WO disclosed
WO-2010129816-A2 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, INC. (US) 2010-11-11 WO disclosed