SCHEMBL11874482

SCHEMBL11874482

COc1cc2c(cc1OC)N(Cc1ccc(F)cc1)C1=NC(C)CN1C2=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ ACHE P22303 2/20 0.40
▸ BCHE P06276 1/20 0.40
▸ TP53 P04637 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ PDE4B Q07343 2/20 0.38
▸ FGFR1 P11362 1/20 0.38
▸ FGFR2 P21802 1/20 0.38
▸ FGFR4 P22455 1/20 0.38
▸ PSEN1 P49768 1/20 0.37
▸ PSEN2 P49810 1/20 0.37
▸ APH1B Q8WW43 1/20 0.37
▸ NCSTN Q92542 1/20 0.37
▸ APH1A Q96BI3 1/20 0.37
▸ PSENEN Q9NZ42 1/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ GRIN1 Q05586 1/20 0.37
▸ GRIN2B Q13224 1/20 0.37

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
SCHEMBL11878613 0.82 TSHR (0.50) SMN1; SMN2ACHEBCHETP53KMT2A
SCHEMBL11878248 0.80 PDE4B (0.35) ACHEPDE4BFGFR1FGFR4KMT2A
SCHEMBL11872380 0.72 TSHR (0.51) SMN1; SMN2ACHEBCHEMAPTKMT2A
SCHEMBL11845463 0.70 TSHR (0.57) SMN1; SMN2ACHEBCHETP53KMT2A
SCHEMBL11846111 0.62 TSHR (0.68) TP53KMT2ATSHRHTTMEN1
SCHEMBL10799560 0.61 TSHR (0.34) BCHEKMT2ATSHRHTTMEN1
SCHEMBL31658284 0.61 CA12 (0.46) ACHEBCHETP53MAPTKMT2A
SCHEMBL10796193 0.60 PDE4A (0.38) SMN1; SMN2BCHEMAPTKMT2AALDH1A1
Hydrochloric Acid SCHEMBL11877009 0.60 CASP3 (0.45) ACHEBCHEKMT2AALDH1A1TSHR
SCHEMBL11879082 0.60 TSHR (0.47) ACHEBCHEPTGDR2KMT2AHCRTR2

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
US-3984556-A Alkyl-substituted-tricyclic quinazolinones for lowering blood pressure SANDOZ, INC. (US) 1976-10-05 — — US disclosed
US-3982000-A Alkyl-substituted-tricyclic quinazolinones as bronchodilators SANDOZ, INC. (US) 1976-09-21 — — US disclosed
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