SCHEMBL11233136

SCHEMBL11233136

Cc1c(C(N)=O)oc2c(Cl)cccc12

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.54
RAB9A P51151 1/20 0.53
MCL1 Q07820 2/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
TDP1 Q9NUW8 1/20 0.51
HPGD P15428 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ABL1 P00519 1/20 0.48
RIN1 Q13671 1/20 0.48
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MITF O75030 1/20 0.42
RAD52 P43351 1/20 0.42
TTR P02766 1/20 0.41

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
SCHEMBL1520571 0.85 MCL1 (0.71) ATMRAB9AMCL1L3MBTL1TDP1
SCHEMBL23532060 0.81 RAB9A (0.60) ATMRAB9AMCL1L3MBTL1TDP1
SCHEMBL11095429 0.81 L3MBTL1 (0.61) ATMRAB9AMCL1L3MBTL1TDP1
SCHEMBL25706649 0.81 MEN1 (0.57) ATMRAB9AMCL1L3MBTL1TDP1
SCHEMBL4745049 0.81 RAB9A (0.56) RAB9AMCL1L3MBTL1HPGDPTGDR2
SCHEMBL8486271 0.78 KDM4E (0.53) RAB9AMCL1L3MBTL1TDP1HPGD
SCHEMBL29958593 0.77 ATM (0.43) ATMRAB9AL3MBTL1TDP1HPGD
SCHEMBL24110957 0.75 MCL1 (0.56) ATMRAB9AMCL1L3MBTL1TDP1
SCHEMBL19024782 0.75 KDM4E (0.64) ATMRAB9AL3MBTL1TDP1NPSR1
SCHEMBL22006830 0.74 KDM4E (0.60) ATMRAB9AL3MBTL1TDP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4353923-A MUSCLE RELAXANTS, ANTIINFLAMMATORY, ANALGESIC KYOWA HAKKO KOGYO CO., LTD. (JP) 1982-10-12 US disclosed
EP-0045473-A1 A pharmaceutical composition containing a benzofuran-carboxamide derivative as the active ingredient KYOWA HAKKO KOGYO CO., LTD. (JP) 1982-02-10 EP disclosed