SCHEMBL23537652

SCHEMBL23537652

COC(=O)c1ncc(C)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
PKM P14618 1/20 0.45
GPR35 Q9HC97 1/20 0.44
MAPT P10636 5/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ATM Q13315 1/20 0.44
ALDH1A1 P00352 4/20 0.43
POLB P06746 2/20 0.43
MAPK1 P28482 1/20 0.43
PDGFRB P09619 1/20 0.43
FGFR1 P11362 1/20 0.43
PDGFRA P16234 1/20 0.43
FLT1 P17948 1/20 0.43
FGFR3 P22607 1/20 0.43
KDR P35968 1/20 0.43
KDM4E B2RXH2 3/20 0.41
VCAM1 P19320 1/20 0.41
HTT P42858 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
SCHEMBL11377331 0.84 MAPK1 (0.59) MAPTL3MBTL1ATMALDH1A1POLB
SCHEMBL18714222 0.83 POLB (0.51) PKMMAPTPOLBMAPK1KDM4E
SCHEMBL29060088 0.83 MAPT (0.42) SMN1; SMN2MAPTL3MBTL1ALDH1A1POLB
SCHEMBL11720643 0.83 SMN1; SMN2 (0.47) SMN1; SMN2PKMGPR35MAPTNPC1
SCHEMBL11377339 0.81 MAPT (0.50) SMN1; SMN2MAPTL3MBTL1ALDH1A1POLB
SCHEMBL29028919 0.79 MAPK1 (0.51) SMN1; SMN2MAPTL3MBTL1ALDH1A1MAPK1
SCHEMBL31347580 0.78 ATM (0.50) SMN1; SMN2MAPTL3MBTL1ATMALDH1A1
SCHEMBL8272321 0.78 ATM (0.50) SMN1; SMN2MAPTL3MBTL1ATMALDH1A1
SCHEMBL18371184 0.77 MAPT (0.47) PKMMAPTL3MBTL1ATMPOLB
SCHEMBL31306918 0.76 ATM (0.53) SMN1; SMN2L3MBTL1ATMALDH1A1POLB

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
WO-2021127397-A1 NITROGEN HETEROCYCLIC COMPOUNDS AND METHODS OF USE BLACK DIAMOND THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed