SCHEMBL15964809

SCHEMBL15964809

COc1ccc(CCc2cc(C(N)=O)on2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.48
F2RL1 P55085 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 1/20 0.43
CALM1 P0DP23 1/20 0.43
KDM4E B2RXH2 2/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
PARP1 P09874 1/20 0.42
PARP10 Q53GL7 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
PARP4 Q9UKK3 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
FKBP1A P62942 1/20 0.42
SLC5A1 P13866 1/20 0.42

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
SCHEMBL23189058 0.84 ALDH1A1 (0.44) NR3C2F2RL1SMN1; SMN2RAB9ANPC1
SCHEMBL18010607 0.80 TAAR1 (0.47) SMN1; SMN2GAARAB9ANPC1CALM1
SCHEMBL3113363 0.77 SMPD1 (0.49) SMN1; SMN2RAB9ANPC1KDM4EPARP10
SCHEMBL2528074 0.76 PPARA (0.40) SMN1; SMN2RAB9ANPC1KDM4EMAPT
SCHEMBL3981454 0.75 SMN1; SMN2 (0.62) SMN1; SMN2RAB9ANPC1KDM4EMAPT
SCHEMBL25180195 0.74 LMNA (0.36) PARP1ALDH1A1
SCHEMBL1569165 0.74 NR3C2 (0.56) NR3C2F2RL1CALM1KDM4ENFKB1
SCHEMBL11557419 0.73 P2RX3 (0.49) NR3C2F2RL1SMN1; SMN2GAARAB9A
SCHEMBL15774486 0.73 SMN1; SMN2 (0.54) SMN1; SMN2RAB9ANPC1KDM4EPARP10
SCHEMBL4167072 0.72 CAPN1 (0.36) SMN1; SMN2RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3342771-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-11-25 EP disclosed
EP-3375780-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-06-03 EP disclosed
EP-3508484-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-07-10 EP disclosed
EP-3342771-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GlaxoSmithKline Intellectual Property Development Ltd (GB) 2018-07-04 EP disclosed
EP-2956452-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2018-03-21 EP disclosed
WO-2014125444-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-08-21 WO disclosed