SCHEMBL9500201

SCHEMBL9500201

CC(C)(Cc1ccccc1)C(O)c1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
KCNA5 P22460 1/20 0.49
TRPA1 O75762 1/20 0.49
ADRB3 P13945 2/20 0.46
CFTR P13569 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
GOPC Q9HD26 1/20 0.46
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
HIF1A Q16665 1/20 0.45
GAA P10253 1/20 0.44
CYP2D6 P10635 1/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL10518433 0.87 CYP19A1 (0.49) SMN1; SMN2ADRB3CYP3A4LMNAL3MBTL1
SCHEMBL13765633 0.84 TRPA1 (0.61) TRPA1SLC6A2SLC6A4SLC6A3CYP1A2
SCHEMBL2425719 0.77 SMN1; SMN2 (0.55) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL29725500 0.77 SMN1; SMN2 (0.55) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL28731430 0.76 SMN1; SMN2 (0.44) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL14762091 0.75 SMN1; SMN2 (0.53) SMN1; SMN2KCNA5CFTRSLC6A2SLC6A4
SCHEMBL2422449 0.74 SMN1; SMN2 (0.52) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL10589633 0.74 SMN1; SMN2 (0.61) SMN1; SMN2KCNA5ADRB3CFTRSLC6A2
SCHEMBL9743874 0.74 CYP1A2 (0.50) SMN1; SMN2KCNA5CYP1A2CYP3A4CYP2C9
SCHEMBL2422674 0.73 SMN1; SMN2 (0.47) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3

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-0400344-B1 Pyridine derivatives and their use as fungicides BASF AG (DE) 1993-12-15 EP disclosed
US-5266579-A Controlling phytopathogens BASF AKTIENGESELLSCHAFT (DE) 1993-11-30 US disclosed
US-5112828-A Horticulture, agriculture BASF AKTIENGESELLSCHAFT (DE) 1992-05-12 US disclosed
EP-0400344-A1 Pyridine derivatives and their use as fungicides BASF Aktiengesellschaft (DE) 1990-12-05 EP disclosed