SCHEMBL9327

SCHEMBL9327

O=C(NC1CC1)OB(O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
RAB9A P51151 2/20 0.47
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.43
NPC1 O15118 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LHCGR P22888 1/20 0.42
EPHX2 P34913 1/20 0.41
EPHX1 P07099 3/20 0.40
FAAH O00519 2/20 0.40
KDM1A O60341 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL4768127 0.92 RAB9A (0.59) ALDH1A1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL9326 0.85 RAB9A (0.49) ALDH1A1RAB9AGAATSHRNPC1
SCHEMBL791334 0.75 ALDH1A1 (0.42) ALDH1A1GAATSHRKMT2ASMN1; SMN2
SCHEMBL5785644 0.74 SMN1; SMN2 (0.49) ALDH1A1RAB9AGAATSHRNPC1
SCHEMBL4763196 0.72 TSHR (0.38) ALDH1A1RAB9AGAATSHRNPC1
SCHEMBL1672441 0.72 ORAI1 (0.46) ALDH1A1TSHR
SCHEMBL1890946 0.72 ALDH1A1 (0.83) ALDH1A1RAB9ALHCGREPHX1FAAH
SCHEMBL28664851 0.70 TRPV6 (0.44) ALDH1A1TSHR
SCHEMBL4765757 0.70 BCHE (0.49) ALDH1A1RAB9AGAATSHRNPC1
SCHEMBL1237453 0.69 KMT2A (0.42) ALDH1A1RAB9ATSHRKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2858990-A1 PYRIDINONE AND PYRIDAZINONE DERIVATIVES AbbVie Inc. (US) 2015-04-15 EP disclosed
WO-2013188381-A1 PYRIDINONE AND PYRIDAZINONE DERIVATIVES ABBVIE INC. (US) 2013-12-19 WO disclosed
EP-2649065-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS Amgen Inc. (US) 2013-10-16 EP disclosed
EP-2496567-A2 NOVEL BENZOPYRAN KINASE MODULATORS Rhizen Pharmaceuticals S.A. (CH) 2012-09-12 EP disclosed
WO-2012078777-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2012-06-14 WO disclosed
WO-2011055215-A2 NOVEL KINASE MODULATORS INCOZEN THERAPEUTICS PVT. LTD. (IN) 2011-05-12 WO disclosed
EP-2120579-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2009-11-25 EP disclosed
WO-2009129401-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 WO disclosed
EP-2081930-A2 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2009-07-29 EP disclosed
EP-2079696-A2 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2009-07-22 EP disclosed
WO-2008083027-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2008-07-10 WO disclosed
WO-2008054956-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2008-05-08 WO disclosed
WO-2008045834-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2008-04-17 WO disclosed