SCHEMBL18955196

SCHEMBL18955196

COc1cccc2c1N(Cc1ccccc1C(=O)O)C(=O)C2=O

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ TP53 P04637 5/20 0.47
▸ MAPT P10636 5/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ PARK7 Q99497 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ FABP4 P15090 1/20 0.44
▸ CHRM5 P08912 1/20 0.44
▸ CYP2C9 P11712 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ MCL1 Q07820 1/20 0.43
▸ BAD Q92934 1/20 0.43
▸ TGM2 P21980 1/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ KMT2A Q03164 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
SCHEMBL18954698 0.84 MAPT (0.56) TP53MAPTSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL18954828 0.81 CHRM5 (0.54) PARK7ALDH1A1CHRM5TGM2KMT2A
SCHEMBL18954783 0.81 CTRC (0.52) TP53MAPTSMN1; SMN2PARK7ALDH1A1
SCHEMBL18954872 0.81 CHRM5 (0.55) TP53MAPTPARK7ALDH1A1CHRM5
SCHEMBL18955264 0.79 KMT2A (0.54) KDM4ETP53MAPTSMN1; SMN2PARK7
SCHEMBL18955277 0.79 PARK7 (0.63) KDM4ETP53MAPTPARK7ALDH1A1
SCHEMBL18954595 0.79 CHRM5 (0.53) PARK7ALDH1A1FABP4CHRM5TGM2
SCHEMBL18974327 0.78 CES1 (0.62) TP53MAPTPARK7ALDH1A1CHRM5
SCHEMBL18954555 0.75 MAPT (0.47) TP53MAPTSMN1; SMN2PARK7L3MBTL1
SCHEMBL18954645 0.75 ALDH1A1 (0.51) TP53MAPTPARK7ALDH1A1CHRM5

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-2017099695-A1 N-[(AMINOSULFONYL)PHENYL]-2-(1,2-DIHYDRO-2-OXO-3H-INDOL-3-YLIDENE)-HYDRAZINECARBOTHIOAMIDE DERIVATIVES FOR TREATING CANCER AND IMMUNOLOGICAL DISORDERS ISTANBUL UNIVERSITESI REKTORLUGU (TR) 2017-06-15 — — WO disclosed
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