SCHEMBL8537668

SCHEMBL8537668

O=C(Nc1cccc(O)c1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 3/20 0.49
DDX3X O00571 1/20 0.49
POLB P06746 1/20 0.49
HTT P42858 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
GRIN2D O15399 1/20 0.48
GRIN3B O60391 1/20 0.48
GRIN1 Q05586 1/20 0.48
GRIN2A Q12879 1/20 0.48
GRIN2B Q13224 1/20 0.48
GRIN2C Q14957 1/20 0.48

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
SCHEMBL12694410 0.89 MEN1 (0.63) SMN1; SMN2MEN1KMT2AALDH1A1GAA
SCHEMBL31707847 0.85 KMT2A (0.59) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL31707846 0.85 KMT2A (0.59) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
4-Nitrophenyl Phenylcarbamate SCHEMBL1434931 0.84 ALDH1A1 (0.62) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL7547050 0.84 CYP1A2 (0.69) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL882954 0.83 TSHR (0.54) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL3573967 0.82 MAPT (0.66) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL11981819 0.82 CYP1A2 (0.59) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8533351 0.82 MAPT (0.64) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL132757 0.82 MEN1 (0.65) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1

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 3 patents. 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
EP-0804425-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-11-05 EP disclosed
WO-1996004254-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-15 WO disclosed