SCHEMBL29280825

SCHEMBL29280825

[CH2]c1nc2cnc3cc(Br)ccc3c2n1Cc1ccc(OC)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3R1 P27986 1/20 0.42
▸ PIK3CA P42336 1/20 0.42
▸ MAPT P10636 4/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ PDE1B Q01064 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ DCTPP1 Q9H773 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ IDO1 P14902 1/20 0.39
▸ PIK3CD O00329 3/20 0.39
▸ MAPK8 P45983 1/20 0.39
▸ PIK3CB P42338 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
SCHEMBL19503120 0.80 TLR7 (0.49) KMT2APDE1BALDH1A1TLR7MEN1
SCHEMBL20475953 0.77 MMP1 (0.43) PIK3R1PIK3CAPDE1BMAPK8TLR7
SCHEMBL20741495 0.77 KCNH2 (0.44) PIK3R1PIK3CAMAPTPDE1BSMN1; SMN2
SCHEMBL20475942 0.77 TSPO (0.42) PIK3R1PIK3CAPDE1BMAPK8TLR7
SCHEMBL30842223 0.77 TSPO (0.42) PIK3R1PIK3CAPDE1BMAPK8TLR7
SCHEMBL30842213 0.77 KCNH2 (0.44) PIK3R1PIK3CAMAPTPDE1BSMN1; SMN2
SCHEMBL19475350 0.77 TLR7 (0.46) MAPTKMT2ASMN1; SMN2TSHRCYP1A2
SCHEMBL20475954 0.77 MAPK8 (0.39) PIK3R1PIK3CAMAPTKMT2APDE1B
SCHEMBL21949797 0.74 TSPO (0.39) PIK3R1PIK3CAKMT2APDE1BMAPK8
SCHEMBL29920814 0.74 TSPO (0.39) PIK3R1PIK3CAKMT2APDE1BMAPK8

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
CN-110325534-B Substituted imidazoquinolines as NLRP3 modulators 先天肿瘤免疫公司 2024-04-05 — — CN disclosed
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