SCHEMBL29958593

SCHEMBL29958593

C=C(Cc1oc2c(Cl)cccc2c1C)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RAB9A P51151 1/20 0.40
ABL1 P00519 1/20 0.39
RIN1 Q13671 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
AHR P35869 1/20 0.37
TTR P02766 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36

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
SCHEMBL23532002 0.86 ATM (0.41) ATMTDP1L3MBTL1RAB9AABL1
SCHEMBL3978000 0.79 KCNH2 (0.43) L3MBTL1RAB9AALDH1A1MAPTMEN1
SCHEMBL11233136 0.77 ATM (0.54) ATMTDP1L3MBTL1RAB9AABL1
SCHEMBL23532074 0.73 ABL1 (0.41) ATMTDP1L3MBTL1RAB9AABL1
SCHEMBL23532077 0.72 TDP1 (0.45) ATMTDP1L3MBTL1RAB9AABL1
Trifluoroacetic Acid SCHEMBL4778437 0.72 CAPN1 (0.38) L3MBTL1RAB9AALDH1A1MAPTMEN1
SCHEMBL23532005 0.71 MEN1 (0.40) ATMTDP1L3MBTL1RAB9AABL1
SCHEMBL28851594 0.71 KCNA3 (0.44) ATMTDP1L3MBTL1RAB9AABL1
SCHEMBL29958628 0.70 RAB9A (0.41) RAB9APTGDR2
SCHEMBL1520571 0.69 MCL1 (0.71) ATMTDP1L3MBTL1RAB9AABL1

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
CN-115151541-B Novel compounds and uses thereof 德彪药业国际股份公司 2024-06-25 CN disclosed
CN-115151541-A Novel compound and use thereof 德彪药业国际股份公司 2022-10-04 CN disclosed