SCHEMBL8533492

SCHEMBL8533492

O=C(Nc1ccc([N+](=O)[O-])cc1)Oc1cccc(Cc2nnn[nH]2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 1/20 0.45
FPR2 P25090 1/20 0.45
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
CYP19A1 P11511 1/20 0.40
MAPT P10636 3/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
FFAR1 O14842 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
ADORA2A P29274 1/20 0.39
THRA P10827 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MYOC Q99972 1/20 0.38
GAA P10253 1/20 0.38
ALOX5 P09917 1/20 0.38

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
SCHEMBL8534580 0.90 GAA (0.43) FPR1FPR2KMT2AMEN1ALDH1A1
SCHEMBL4605520 0.76 TSHR (0.50) KMT2AMEN1ALDH1A1HTTCYP19A1
SCHEMBL4836695 0.73 POLB (0.51) KMT2AMEN1ALDH1A1MAPTNPC1
SCHEMBL8773924 0.73 CRHBP (0.39) KMT2AMEN1ALDH1A1HTTMAPT
SCHEMBL8773928 0.73 CRHBP (0.39) KMT2AMEN1ALDH1A1HTTMAPT
SCHEMBL7547943 0.73 MEN1 (0.41) KMT2AMEN1ALDH1A1HTTMAPT
SCHEMBL6261538 0.72 MAPT (0.62) KMT2AMEN1ALDH1A1HTTMAPT
SCHEMBL15559316 0.70 MGLL (0.46) KMT2AMEN1ALDH1A1MAPTNPC1
SCHEMBL3573967 0.70 MAPT (0.66) KMT2AMEN1ALDH1A1HTTMAPT
SCHEMBL8773979 0.69 BRD4 (0.43)

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
US-5763437-A Benzodiazepine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-09 US disclosed