SCHEMBL10568398

SCHEMBL10568398

CC(C)(C)C(=O)C(CCCCOc1ccccc1)n1cncn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.62
CYP3A4 P08684 3/20 0.46
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
CYP26A1 O43174 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PPARA Q07869 1/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 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
SCHEMBL11181063 0.93 MAPT (0.65) MAPTCYP3A4MEN1KMT2ATDP1
SCHEMBL10666615 0.85 MAPT (0.55) MAPTCYP3A4MEN1KMT2ATDP1
SCHEMBL28384165 0.84 MAPT (0.44) MAPTMEN1KMT2ATDP1LMNA
SCHEMBL10666115 0.82 MAPT (0.53) MAPTCYP3A4MEN1KMT2ALMNA
SCHEMBL1967437 0.81 MAPT (0.65) MAPTCYP3A4MEN1KMT2ATDP1
SCHEMBL1923770 0.80 MAPT (0.55) MAPTCYP3A4MEN1KMT2ATDP1
SCHEMBL10664398 0.80 MAPT (0.60) MAPTCYP3A4MEN1KMT2ATDP1
SCHEMBL10664395 0.80 MAPT (0.60) MAPTCYP3A4MEN1KMT2ATDP1
SCHEMBL2221110 0.80 MAPT (0.77) MAPTCYP3A4MEN1KMT2ATDP1
SCHEMBL10915818 0.78 MEN1 (0.51) MAPTCYP3A4MEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4380546-A Azole compounds, their preparation, their use for crop treatment, and agents for this purpose BASF AKTIENGESELLSCHAFT (DE) 1983-04-19 US claimed
US-4822889-A Triazolyl alcohols, their preparation and their use as fungicides BASF AKTIENGESELLSCHAFT (DE) 1989-04-18 US disclosed
US-4748250-A Diastereoselective reduction of alpha-triazolylketones to betatriazolylcarbinols BASF AKTIENGESELLSCHAFT (DE) 1988-05-31 US disclosed
US-4456608-A Azole compounds, their preparation, and fungicides which contain these compounds BASF AKTIENGESELLSCHAFT (DE) 1984-06-26 US disclosed
US-4380546-A Azole compounds, their preparation, their use for crop treatment, and agents for this purpose BASF AKTIENGESELLSCHAFT (DE) 1983-04-19 US disclosed