SCHEMBL17328699

SCHEMBL17328699

O=C(O)C1(O)CCN(c2cccc(C(F)(F)F)c2)C1=O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 2/20 0.52
CYP17A1 P05093 1/20 0.47
METAP2 P50579 10/20 0.47
NOTUM Q6P988 1/20 0.46
ALKBH5 Q6P6C2 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
OPRM1 P35372 1/20 0.43
OPRL1 P41146 1/20 0.43
AR P10275 1/20 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
SCHEMBL17328696 1.00 HDAC11 (0.52) HDAC11CYP17A1METAP2NOTUMALKBH5
SCHEMBL17328698 1.00 HDAC11 (0.52) HDAC11CYP17A1METAP2NOTUMALKBH5
SCHEMBL17328560 0.84 LIPE (0.49) HDAC11METAP2NOTUM
SCHEMBL17328558 0.84 LIPE (0.49) HDAC11METAP2NOTUM
SCHEMBL17328642 0.83 METAP2 (0.62) METAP2
SCHEMBL17328707 0.83 METAP2 (0.62) METAP2
SCHEMBL17328645 0.83 METAP2 (0.62) METAP2
SCHEMBL17328592 0.82 LMNA (0.55) LMNAHTTMEN1KMT2A
SCHEMBL15374625 0.82 LMNA (0.55) LMNAHTTMEN1KMT2A
SCHEMBL15367315 0.81 METAP2 (0.63) METAP2

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-2627631-B1 PYRROLIDINONES AS METAP2 INHIBITORS MERCK PATENT GMBH (DE) 2015-12-16 EP claimed