SCHEMBL4043564

SCHEMBL4043564

C#CC(=O)C(C)Cc1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.47
▸ MAOB P27338 1/20 0.47
▸ TRPA1 O75762 1/20 0.47
▸ HPGD P15428 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CPA1 P15085 1/20 0.40
▸ FFAR1 O14842 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PPARD Q03181 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ PYCR1 P32322 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
SCHEMBL4039591 0.83 SLC6A2 (0.47) MAOBKMT2APPARA
SCHEMBL4040112 0.80 LDHA (0.56) HTTALDH1A1PPARACYP2D6CYP2C19
SCHEMBL4035809 0.79 MAOA (0.41) MAOAMAOBTRPA1HPGDALDH1A1
SCHEMBL16474009 0.79 TRPA1 (0.50) TRPA1HPGDHTTCPA1FFAR1
SCHEMBL6005381 0.78 PPARA (0.53) TRPA1HPGDLMNACPA1KMT2A
SCHEMBL1515224 0.78 PPARA (0.53) TRPA1HPGDLMNACPA1KMT2A
SCHEMBL15012163 0.78 TRPA1 (0.53) MAOAMAOBTRPA1HPGDHTT
SCHEMBL21400125 0.77 TRPA1 (0.52) MAOAMAOBTRPA1HPGDHTT
SCHEMBL15881064 0.77 TRPA1 (0.52) TRPA1HPGDHTTCPA1KMT2A
SCHEMBL22098557 0.75 LMNA (0.35) MAOAMAOBLMNAPPARA

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
EP-2038279-A2 SUBSTITUTED PYRAZOLO [1,5- ALPHA] PYRIDINE COMPOUNDS AND THEIR METHODS OF USE Avigen, Inc. (US) 2009-03-25 — — EP disclosed
WO-2007146087-A2 SUBSTITUTED PYRAZOLO [1,5-α] PYRIDINE COMPOUNDS AND THEIR METHODS OF USE AVIGEN, INC. (US) 2007-12-21 — — WO disclosed
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