SCHEMBL13617343

SCHEMBL13617343

Nc1ncsc1-c1ccccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
USP7 Q93009 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
CYP19A1 P11511 1/20 0.38
DPP4 P27487 3/20 0.38
LIMK1 P53667 1/20 0.38
CYP2A6 P11509 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 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
SCHEMBL13616805 0.78 MPL (0.47) ALDH1A1KDM4EHSD17B10NPC1USP7
SCHEMBL13616946 0.78 ADORA2A (0.40) ALDH1A1KDM4EHSD17B10NPC1RAB9A
SCHEMBL2093838 0.78 CYP19A1 (0.38) ALDH1A1HPGDKDM4EHSD17B10NPC1
SCHEMBL2093842 0.78 HSD11B1 (0.43) ALDH1A1HPGDKDM4EHSD17B10NPC1
SCHEMBL13398544 0.73 KDM4E (0.63) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL13616783 0.72 KDM4E (0.53) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL13616971 0.71 MPL (0.38) ALDH1A1KDM4ESMN1; SMN2LMNAJAK2
SCHEMBL13616873 0.70 CLK1 (0.37) ALDH1A1KDM4ELMNADPP4TSHR
SCHEMBL15692562 0.69 KDM4E (0.50) ALDH1A1HPGDKDM4EHSD17B10NPC1
SCHEMBL13616809 0.68 DHFR (0.47) CYP19A1DPP4LIMK1JAK2MAP4K4

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-2119716-A1 AZA-BRIDGED-RING COMPOUND Astellas Pharma Inc. (JP) 2009-11-18 EP disclosed