SCHEMBL9058581

SCHEMBL9058581

COc1ccc2c(c1)c(OCC(=O)Nc1cccnc1[N+](=O)[O-])nn2Cc1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ATM Q13315 1/20 0.42
CNR2 P34972 4/20 0.41
ACHE P22303 3/20 0.41
CNR1 P21554 3/20 0.41
GAA P10253 2/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
THRB P10828 2/20 0.40
LMNA P02545 2/20 0.40
RECQL P46063 1/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL8813770 0.82 NOTUM (0.49) KDM4EATMLMNANPC1RAB9A
SCHEMBL8812598 0.82 MEN1 (0.50) KDM4ECNR2CNR1GAAKMT2A
SCHEMBL8804281 0.81 KMT2A (0.44) KDM4EATMCNR2ACHECNR1
SCHEMBL6969602 0.76 CNR2 (0.52) KDM4ECNR2ACHECNR1GAA
SCHEMBL8808537 0.76 CNR2 (0.53) CNR2ACHECNR1GAALMNA
SCHEMBL8808909 0.75 PTGS2 (0.55) HTTKDM4EATMKMT2AMEN1
SCHEMBL6967696 0.74 ACHE (0.44) ATMCNR2ACHECNR1KMT2A
SCHEMBL8810241 0.74 LMNA (0.52) KMT2AMEN1LMNAMAPTNPC1
SCHEMBL8806408 0.72 KCNH2 (0.52) HTTKDM4ECNR2CNR1PKM
SCHEMBL6978209 0.69 CNR1 (0.49) KDM4ECNR2ACHECNR1PKM

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
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