SCHEMBL9316646

SCHEMBL9316646

CCOC(=O)c1ccc(NC(=O)N2CCc3[nH]c4c(cnc5cc(Cl)ccc54)c3C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 5/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MCL1 Q07820 1/20 0.48
P2RY12 Q9H244 4/20 0.47
CHEK1 O14757 1/20 0.46
ABL1 P00519 1/20 0.46
MET P08581 1/20 0.46
PIM1 P11309 1/20 0.46
FGFR1 P11362 1/20 0.46
LTK P29376 1/20 0.46
MAPK8 P45983 1/20 0.46
CDK8 P49336 1/20 0.46
GSK3B P49841 1/20 0.46
CDK9 P50750 1/20 0.46

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
SCHEMBL9315820 0.85 MEN1 (0.58) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL9316074 0.85 KDM4E (0.45) MEN1KMT2AMAPTMCL1GSK3B
SCHEMBL9316614 0.81 MEN1 (0.51) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL9314846 0.77 BAZ2B (0.46) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL9314877 0.76 KMT2A (0.46) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL9315615 0.75 PTGDR2 (0.48) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL9316061 0.75 BAZ2B (0.45) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL9315614 0.75 PTGDR2 (0.48) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL9315583 0.75 MAPT (0.48) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL9314841 0.74 BAZ2B (0.45) MEN1KMT2AMAPTCYP1A2CYP3A4

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
US-5281608-A Antiinflammatory agents and interleukin II antagonist AMERICAN HOME PRODUCTS CORPORATION (US) 1994-01-25 US disclosed