SCHEMBL9684649

SCHEMBL9684649

CCCN1Cc2nc3c(CCC(C)C(F)(F)F)cccc3c(N)c2C1=O

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ PARP2 Q9UGN5 1/20 0.34
▸ CHRNE Q04844 1/20 0.31
▸ ALDH1A1 P00352 4/20 0.31
▸ MAPK10 P53779 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL10395363 0.86 LMNA (0.40) LMNAPARP1HTTPARP2CHRNE
SCHEMBL10747242 0.86 LMNA (0.37) LMNAPARP1HTTPARP2CHRNE
SCHEMBL9685810 0.84 LMNA (0.39) LMNAPARP1HTTPARP2CHRNE
SCHEMBL9684714 0.83 LMNA (0.38) LMNAPARP1HTTPARP2CHRNE
SCHEMBL9686200 0.81 LMNA (0.36) LMNAPARP1HTTPARP2CHRNE
SCHEMBL9686764 0.79 ALDH1A1 (0.41) LMNAPARP1HTTPARP2ALDH1A1
SCHEMBL9686442 0.79 HTT (0.38) LMNAPARP1HTTPARP2CHRNE
SCHEMBL9684592 0.78 PARP1 (0.42) LMNAPARP1HTTPARP2ALDH1A1
SCHEMBL2657022 0.77 LMNA (0.41) LMNAPARP1HTTPARP2ALDH1A1
SCHEMBL2655615 0.77 LMNA (0.41) LMNAPARP1HTTPARP2ALDH1A1

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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