SCHEMBL11224822

SCHEMBL11224822

CCN(c1ccccc1C)C(C)COC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 3/20 0.36
LMNA P02545 3/20 0.36
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
ALDH1A1 P00352 4/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.32
TSHR P16473 2/20 0.32
CYP2D6 P10635 2/20 0.32
SCN4A P35499 3/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
NFKB1 P19838 1/20 0.32
KCNK3 O14649 1/20 0.32
CACNA1F O60840 1/20 0.32
KCNK2 O95069 1/20 0.32

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
SCHEMBL30551685 1.00 KDM4E (0.38) KDM4EMEN1KMT2ATP53CYP3A4
SCHEMBL14930912 0.82 LMNA (0.39) KDM4EMEN1KMT2ATP53CYP3A4
SCHEMBL20133731 0.79 CYP3A4 (0.37) KDM4EMEN1KMT2ATP53CYP3A4
SCHEMBL10766412 0.79 CYP3A4 (0.37) KDM4EMEN1KMT2ATP53CYP3A4
SCHEMBL20467009 0.78 CYP3A4 (0.41) TP53CYP3A4LMNAALDH1A1TSHR
SCHEMBL11389447 0.75 LMNA (0.42) KDM4EMEN1KMT2ATP53CYP3A4
SCHEMBL11673976 0.73 LMNA (0.36) CYP3A4LMNAALDH1A1SMN1; SMN2TSHR
SCHEMBL6642557 0.73 KDM4E (0.42) KDM4EMEN1KMT2ATP53CYP3A4
SCHEMBL17377307 0.73 KDM4E (0.42) KDM4EMEN1KMT2ATP53CYP3A4
SCHEMBL10371941 0.73 THRB (0.42) KDM4EMEN1KMT2ATP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0073871-A1 Process for the preparation of N-substituted-N-acylated 2,6-dialkylanilines CIBA-GEIGY AG (CH) 1983-03-16 EP disclosed