SCHEMBL10364639

SCHEMBL10364639

CC(C)(C)C(O)C(CCCc1ccccc1)n1cncn1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
TDP1 Q9NUW8 2/20 0.50
MAPT P10636 1/20 0.49
HSP90AA1 P07900 2/20 0.43
POLB P06746 1/20 0.43
CYP19A1 P11511 3/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
PPARG P37231 1/20 0.39
MMP2 P08253 2/20 0.37
MMP3 P08254 1/20 0.37

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
SCHEMBL12418678 0.96 MEN1 (0.56) MEN1KMT2ATDP1MAPTHSP90AA1
SCHEMBL12418543 0.94 MEN1 (0.58) MEN1KMT2ATDP1MAPTHSP90AA1
SCHEMBL12394779 0.88 MEN1 (0.76) MEN1KMT2ATDP1MAPTHSP90AA1
SCHEMBL12394776 0.86 KMT2A (0.60) MEN1KMT2ATDP1MAPTHSP90AA1
SCHEMBL10368769 0.85 MEN1 (0.76) MEN1KMT2ATDP1MAPTHSP90AA1
SCHEMBL1969687 0.85 KMT2A (0.52) MEN1KMT2ATDP1MAPTHSP90AA1
SCHEMBL12394775 0.84 MEN1 (0.56) MEN1KMT2ATDP1MAPTHSP90AA1
SCHEMBL1964298 0.84 MEN1 (0.57) MEN1KMT2ATDP1MAPTHSP90AA1
SCHEMBL12418677 0.84 MEN1 (0.74) MEN1KMT2ATDP1MAPTHSP90AA1
SCHEMBL10915818 0.83 MEN1 (0.51) MEN1KMT2ATDP1MAPTHSP90AA1

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-0129186-B1 AZOLE DERIVATIVES BASF Aktiengesellschaft (DE) 1990-08-16 EP disclosed
EP-0129186-A2 Azole derivatives BASF Aktiengesellschaft (DE) 1984-12-27 EP disclosed