SCHEMBL9199550

SCHEMBL9199550

Cc1ccc(C(=O)C(C)n2cncn2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.64
HSP90AA1 P07900 1/20 0.64
CYP26A1 O43174 2/20 0.41
MEN1 O00255 2/20 0.41
PDE4D Q08499 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CHRM2 P08172 1/20 0.39
ADRA2B P18089 1/20 0.39
DRD3 P35462 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
CYP19A1 P11511 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
SLC6A3 Q01959 4/20 0.38
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 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
SCHEMBL6227295 0.86 CYP19A1 (0.51) KMT2AHSP90AA1CYP26A1MEN1PDE4D
SCHEMBL10361474 0.86 HSP90AA1 (0.49) KMT2AHSP90AA1CYP26A1PDE4DCYP19A1
SCHEMBL9795396 0.86 CYP19A1 (0.49) KMT2AHSP90AA1CYP26A1MEN1PDE4D
Hydrochloric Acid SCHEMBL9792757 0.85 HSP90AA1 (0.48) KMT2AHSP90AA1CYP26A1PDE4DCYP19A1
SCHEMBL9433360 0.83 KMT2A (0.63) KMT2AHSP90AA1CYP26A1MEN1NPSR1
SCHEMBL10361626 0.82 HSP90AA1 (0.49) KMT2AHSP90AA1CYP26A1PDE4DALDH1A1
SCHEMBL10568532 0.80 HSP90AA1 (0.47) KMT2AHSP90AA1CYP26A1PDE4DHRH3
SCHEMBL10570329 0.80 SLC6A4 (0.43) KMT2AHSP90AA1MEN1PDE4DCYP19A1
SCHEMBL16722763 0.73 ACHE (0.41) KMT2AHSP90AA1MEN1ALDH1A1CHRM2
SCHEMBL7197056 0.72 MAPT (0.42) KMT2AHSP90AA1CYP26A1MEN1PDE4D

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0431968-B1 Oxetane derivatives, their preparation and their use as anti-fungal or fungicidal agents SANKYO CO (JP) 1995-03-15 EP disclosed
US-5134152-A 1,2,4-Triazole compounds SANKYO COMPANY, LIMITED (JP) 1992-07-28 US disclosed
EP-0431968-A1 Oxetane derivatives, their preparation and their use as anti-fungal or fungicidal agents Sankyo Company Limited (JP) 1991-06-12 EP disclosed