SCHEMBL23950575

SCHEMBL23950575

O=c1ccc(NO)cn1CC1CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 1/20 0.38
DPP4 P27487 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
THRB P10828 1/20 0.33
BMPR1A P36894 1/20 0.33
ACVRL1 P37023 1/20 0.33
ACVR1 Q04771 1/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
GRIA2 P42262 1/20 0.33
GRIN2A Q12879 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KCNH2 Q12809 1/20 0.33
DYRK1A Q13627 1/20 0.33
XDH P47989 1/20 0.32

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
SCHEMBL23950391 0.74 PIK3CD (0.37) DPP4DPP7BMPR1AACVRL1ACVR1
SCHEMBL17120437 0.74 ALDH1A1 (0.51) DPP4DPP7BMPR1AACVRL1ACVR1
SCHEMBL120724 0.74 HTR7 (0.39) THRBBMPR1AACVRL1ACVR1KMT2A
SCHEMBL17522927 0.73 DPP4 (0.33) DPP4DPP7BMPR1AACVRL1ACVR1
SCHEMBL21653118 0.71 ALDH1A1 (0.38) ADORA2BCYP3A4CYP2C9CYP2C19MAPT
SCHEMBL21350503 0.70 MAPT (0.48) DPP4DPP7BMPR1AACVRL1ACVR1
SCHEMBL13875960 0.69 DPP4 (0.37) DPP4DPP7BMPR1AACVRL1ACVR1
SCHEMBL15719392 0.69 SIGMAR1 (0.49) KCNH2KMT2A
SCHEMBL16465276 0.68 BMPR1A (0.41) THRBBMPR1AACVRL1ACVR1KDM4E
SCHEMBL24583674 0.68 MAPT (0.49) BMPR1AACVRL1ACVR1MAPTKDM4E

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-2021209552-A1 PYRAZOLO[1,5-D][1,2,4]TRIAZINE-5(4H)-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME PATHWAY JANSSEN PHARMACEUTICA NV (BE) 2021-10-21 WO disclosed