SCHEMBL8589320

SCHEMBL8589320

O=C(Oc1ccc([N+](=O)[O-])cc1)n1cccnc1=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.46
▸ MGLL Q99685 1/20 0.44
▸ GAA P10253 2/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ BCL9 O00512 1/20 0.42
▸ CTNNB1 P35222 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ PTPN7 P35236 1/20 0.41
▸ PTPN12 Q05209 1/20 0.41
▸ PTPN22 Q9Y2R2 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ FAAH O00519 2/20 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
SCHEMBL8587428 0.82 ALDH1A1 (0.44) MAPTGAACYP1A2CYP2D6ALDH1A1
SCHEMBL31568215 0.77 GAA (0.50) MAPTMGLLGAACYP1A2CYP2D6
SCHEMBL7560936 0.76 GAA (0.49) MAPTGAAALDH1A1POLBKMT2A
SCHEMBL7508432 0.73 MAPT (0.61) MAPTGAABCL9CTNNB1ALDH1A1
SCHEMBL23122921 0.73 ALDH1A1 (0.57) MAPTMGLLGAAALDH1A1KDM4E
SCHEMBL29795626 0.73 ALDH1A1 (0.57) MAPTMGLLGAAALDH1A1KDM4E
SCHEMBL28299076 0.72 MGLL (0.49) MGLLGAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL24729670 0.72 CYP1A2 (0.54) MGLLCYP1A2CYP2D6FAAH
SCHEMBL29014065 0.71 CYP19A1 (0.49) MAPTMGLLGAACYP1A2CYP2D6
SCHEMBL7590176 0.70 GAA (0.51) MAPTMGLLGAACYP1A2CYP2D6

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-1998051311-A2 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1998-11-19 — — WO disclosed
Send feedback