SCHEMBL8804281

SCHEMBL8804281

O=C(COc1nn(Cc2ccc(Cl)cc2)c2ccccc12)Nc1cccnc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
LMNA P02545 2/20 0.44
GAA P10253 1/20 0.44
THRB P10828 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CNR2 P34972 4/20 0.41
CNR1 P21554 3/20 0.41
ACHE P22303 3/20 0.41
CYP3A4 P08684 1/20 0.40
PTGER4 P35408 1/20 0.40
POLB P06746 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 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
SCHEMBL9058581 0.81 HTT (0.43) KMT2AMEN1LMNAGAATHRB
SCHEMBL8811999 0.80 YES1 (0.54) LMNAMAPTCNR2CNR1ACHE
SCHEMBL8807554 0.79 NOTUM (0.53) LMNAALDH1A1MAPTCNR2CNR1
SCHEMBL8805771 0.75 CNR1 (0.44) KMT2ALMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL8810073 0.74 CNR2 (0.54) KMT2AMEN1LMNAALDH1A1SMN1; SMN2
SCHEMBL8416996 0.73 BUB1 (0.52) LMNAALDH1A1CNR2CNR1ACHE
SCHEMBL8808912 0.73 NOTUM (0.54) LMNAALDH1A1CNR2CNR1ACHE
SCHEMBL9917403 0.69 CNR2 (0.81) LMNAALDH1A1SMN1; SMN2NPSR1CNR2
Bendazac SCHEMBL25979 0.68 CNR2 (0.70) KMT2AMEN1LMNAALDH1A1SMN1; SMN2
Bendazac SCHEMBL30299455 0.68 CNR2 (0.70) KMT2AMEN1LMNAALDH1A1SMN1; SMN2

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-0775131-A2 INDOL, INDAZOL, PYRIDOPYRROL AND PYRIDOPYRAZOL DERIVATIVES WITH ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY AND IMMUNOMODULATING EFFECTS ASTA Medica Aktiengesellschaft (DE) 1997-05-28 EP disclosed
WO-1996004266-A2 INDOL, INDAZOL, PYRIDOPYRROL AND PYRIDOPYRAZOL DERIVATIVES WITH ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY AND IMMUNOMODULATING EFFECTS ASTA MEDICA AKTIENGESELLSCHAFT (DE) 1996-02-15 WO disclosed