SCHEMBL8096601

SCHEMBL8096601

CC1=C(C(=O)OCCF)C(c2cc(F)ccc2F)C(C(=O)OC(C)C)=C(C)N1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
CYP1A2 P05177 4/20 0.47
CYP3A4 P08684 4/20 0.47
CYP2C9 P11712 4/20 0.47
CYP2C19 P33261 4/20 0.47
LMNA P02545 3/20 0.47
MAPT P10636 3/20 0.47
CYP2D6 P10635 2/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
THPO P40225 1/20 0.47
CACNA1C Q13936 4/20 0.47
CACNA1F O60840 2/20 0.47
CACNA1D Q01668 2/20 0.47
CACNA1S Q13698 2/20 0.47
KDM4E B2RXH2 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
GAA P10253 2/20 0.43
NR3C2 P08235 2/20 0.43

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
SCHEMBL6951645 0.92 MEN1 (0.56) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL8913556 0.86 MEN1 (0.47) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL8912510 0.85 CACNA1C (0.45) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL8096562 0.83 TP53 (0.52) MAPTNR3C2
SCHEMBL6945482 0.79 CACNA1B (0.48) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL6950267 0.78 CYP1A2 (0.58) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL23686115 0.77 CACNA1F (0.66) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL7887451 0.76 NR1I2 (0.55) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL11110139 0.75 NR3C2 (0.48) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL6947901 0.74 CYP2C9 (0.59) MEN1KMT2ACYP1A2CYP3A4CYP2C9

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
US-6066655-A FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS, IN PARTICULAR AS CEREBRAL THERAPEUTICS BAYER AKTIENGESELLSCHAFT (DE) 2000-05-23 US disclosed
US-5731333-A LEARNING AND MEMORY ENHANCEMENT, ANTIDEPRESSANTS BAYER AKTIENGESELLSCHAFT (DE) 1998-03-24 US disclosed