SCHEMBL8773926

SCHEMBL8773926

O=C(O)N(c1ccccc1)c1ccc([N+](=O)[O-])c(Cc2nnn[nH]2)c1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SNCA P37840 2/20 0.33
CYP19A1 P11511 2/20 0.33
MGLL Q99685 1/20 0.33
ALDH1A1 P00352 4/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
AR P10275 1/20 0.32
KDM4E B2RXH2 2/20 0.31
GLA P06280 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.31
LMNA P02545 1/20 0.30
THRB P10828 2/20 0.30
THRA P10827 1/20 0.30

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
SCHEMBL8773924 0.80 CRHBP (0.39) ALDH1A1SMN1; SMN2ARKDM4EMEN1
SCHEMBL8773928 0.80 CRHBP (0.39) ALDH1A1SMN1; SMN2ARKDM4EMEN1
SCHEMBL9057515 0.76 AR (0.50) ALDH1A1ARKDM4EMEN1KMT2A
SCHEMBL1873510 0.69 ALDH1A1 (0.50) CYP19A1MGLLALDH1A1SMN1; SMN2KDM4E
SCHEMBL5297525 0.65 GAA (0.39) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL21247872 0.65 ALDH1A1 (0.67) MGLLALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL23923878 0.64 ALDH1A1 (0.53) MGLLALDH1A1KDM4EMEN1KMT2A
SCHEMBL10882419 0.62 MGLL (0.56) MGLLALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL21800144 0.62 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL1970979 0.62 NPSR1 (0.40) CYP19A1MGLLALDH1A1SMN1; SMN2KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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