SCHEMBL8534580

SCHEMBL8534580

O=C(Nc1cccc(Cc2nnn[nH]2)c1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
NPC1 O15118 1/20 0.39
MGLL Q99685 1/20 0.39
HTT P42858 1/20 0.38
PARP1 P09874 1/20 0.38
FPR1 P21462 1/20 0.38
FPR2 P25090 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
SCHEMBL8533492 0.90 FPR1 (0.45) GAAMEN1KMT2AMAPTALDH1A1
SCHEMBL7547943 0.81 MEN1 (0.41) GAAMEN1KMT2AMAPTALDH1A1
SCHEMBL9267730 0.78 GAA (0.53) GAAMEN1KMT2AMAPTCYP1A2
SCHEMBL8533390 0.76 GAA (0.54) GAAMEN1KMT2AMAPTALDH1A1
SCHEMBL8773979 0.76 BRD4 (0.43) CSNK2A1PARP1
SCHEMBL12694410 0.76 MEN1 (0.63) GAAMEN1KMT2AMAPTALDH1A1
SCHEMBL4605520 0.76 TSHR (0.50) GAAMEN1KMT2AMAPTCYP1A2
SCHEMBL15559316 0.75 MGLL (0.46) GAAMEN1KMT2AMAPTALDH1A1
SCHEMBL6925787 0.75 PARP1 (0.54) MEN1KMT2AMAPTCYP1A2ALDH1A1
SCHEMBL8537668 0.74 RAB9A (0.55) GAAMEN1KMT2AMAPTCYP1A2

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