SCHEMBL13616946

SCHEMBL13616946

Cc1ccccc1-c1scnc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.40
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
PRKDC P78527 1/20 0.39
HEXA P06865 1/20 0.38
HEXB P07686 1/20 0.38
DPP4 P27487 1/20 0.38
DHFR P00374 1/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 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
SCHEMBL15929451 0.81 RAB9A (0.39) ADORA2ARAB9ASMN1; SMN2NPC1CASP3
SCHEMBL13617343 0.78 ALDH1A1 (0.43) DPP4RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL13616805 0.78 MPL (0.47) ADORA2ADPP4NPC1ALDH1A1HSD17B10
SCHEMBL13616783 0.76 KDM4E (0.53) ADORA2ARAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL15928081 0.75 RAB9A (0.35) ADORA2ARAB9ASMN1; SMN2NPC1CASP3
SCHEMBL13616971 0.71 MPL (0.38) ADORA2ASMN1; SMN2ALDH1A1CYP1A2CYP3A4
SCHEMBL13616808 0.71 ALDH1A1 (0.46) ADORA2APIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL6223538 0.71 KDM4E (0.45) PRKDCRAB9ANPC1ALDH1A1CYP1A2
SCHEMBL15692562 0.69 KDM4E (0.50) NOS3NOS1NOS2RAB9ASMN1; SMN2
SCHEMBL13617070 0.69 GRM2 (0.37) NOS3NOS1NOS2KDRSRC

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