SCHEMBL17448552

SCHEMBL17448552

COC(=O)[C@@H]1C[C@@H](C)C(=O)N1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.37
ANPEP P15144 5/20 0.37
CYP1A2 P05177 2/20 0.36
HIF1A Q16665 1/20 0.36
KMT2A Q03164 1/20 0.35
BRD4 O60885 1/20 0.34
PKM P14618 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.31
POLB P06746 1/20 0.31
ATM Q13315 1/20 0.31
CAPN1 P07384 1/20 0.31
FKBP1A P62942 1/20 0.31

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
SCHEMBL13738649 1.00 MMP2 (0.37) MMP2ANPEPCYP1A2HIF1AKMT2A
SCHEMBL15873018 0.82 ACE (0.33) ATMCAPN1
SCHEMBL15875604 0.82 ACE (0.33) ATMCAPN1
SCHEMBL25184479 0.82 ACE (0.33) ATMCAPN1
SCHEMBL15875605 0.82 ACE (0.33) ATMCAPN1
SCHEMBL13866573 0.80 PTPN1 (0.37) MMP2ANPEPBRD4ALDH1A1
SCHEMBL2601624 0.80 PTPN1 (0.37) MMP2ANPEPBRD4ALDH1A1
SCHEMBL2605610 0.80 PTPN1 (0.37) MMP2ANPEPBRD4ALDH1A1
SCHEMBL12105257 0.80 PTPN1 (0.37) MMP2ANPEPBRD4ALDH1A1
SCHEMBL882834 0.80 PTPN1 (0.37) MMP2ANPEPBRD4ALDH1A1

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
WO-2016010897-A1 BICYCLIC HETEROAROMATIC CARBOXAMIDE COMPOUNDS USEFUL AS PIM KINASE INHIBITORS INCYTE CORPORATION (US) 2016-01-21 WO disclosed