SCHEMBL9684714

SCHEMBL9684714

CCCCCc1cccc2c(N)c3c(nc12)CN(CCC)C3=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.38
▸ PARP1 P09874 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ PARP2 Q9UGN5 1/20 0.38
▸ TLR8 Q9NR97 8/20 0.37
▸ CHRNE Q04844 1/20 0.35
▸ ATM Q13315 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TSHR P16473 2/20 0.34
▸ NR1H2 P55055 1/20 0.34
▸ NR1H3 Q13133 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ MAPK10 P53779 1/20 0.34
▸ GAA P10253 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33

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
SCHEMBL9685810 0.97 LMNA (0.39) LMNAPARP1HTTPARP2TLR8
SCHEMBL10395363 0.92 LMNA (0.40) LMNAPARP1HTTPARP2TLR8
SCHEMBL9686200 0.87 LMNA (0.36) LMNAPARP1HTTPARP2CHRNE
SCHEMBL9724626 0.85 PDE4A (0.40) PARP1TLR8
SCHEMBL9684528 0.85 CHRNE (0.33) TLR8CHRNEALDH1A1GAA
SCHEMBL9686442 0.84 HTT (0.38) LMNAPARP1HTTPARP2CHRNE
SCHEMBL10747242 0.84 LMNA (0.37) LMNAPARP1HTTPARP2CHRNE
SCHEMBL9684649 0.83 LMNA (0.34) LMNAPARP1HTTPARP2CHRNE
SCHEMBL9684592 0.83 PARP1 (0.42) LMNAPARP1HTTPARP2TLR8
SCHEMBL9686890 0.83 LMNA (0.40) LMNAPARP1HTTPARP2SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0245053-B1 HETEROCYCLIC FUSED TRICYCLIC COMPOUNDS ICI AMERICAS INC. (US) 1992-11-25 — — EP disclosed
US-5118688-A TETRAHYDROPYRIDOQUINOLONE DERIVATIVES USEFUL AS ANXIOLYTIC AGENTS ICI AMERICAS INC. (US) 1992-06-02 — — US disclosed
US-4975435-A Certain 1H-pyrrold[3,4-b]quinolin-1-one-9-amino-2,3-dihydro derivatives useful for treating anxiety ICI AMERICAS INC. (US) 1990-12-04 — — US disclosed
EP-0245053-A1 Heterocyclic fused tricyclic compounds ICI AMERICAS INC. (US) 1987-11-11 — — EP disclosed
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