SCHEMBL25738013

SCHEMBL25738013

C=C(OCC)c1cnc(C(=O)OC)cc1NC(=O)CC(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BDKRB1 P46663 3/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ LMNA P02545 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ATF1 P18846 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ MAPT P10636 3/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ TP53 P04637 2/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL25738014 0.84 BDKRB1 (0.40) BDKRB1MAPK1KDM4EALDH1A1LMNA
SCHEMBL25738012 0.75 KDM4E (0.41) MAPK1KDM4EALDH1A1MAPTHSD17B10
SCHEMBL31523576 0.68 KDM4E (0.41) MAPK1KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL9319138 0.68 KDM4E (0.48) KDM4EALDH1A1SMN1; SMN2MAPTHSD17B10
SCHEMBL9319716 0.68 KDM4E (0.48) KDM4EALDH1A1SMN1; SMN2MAPTHSD17B10
SCHEMBL24759806 0.68 KDM4E (0.38) KDM4EALDH1A1SMN1; SMN2MAPTHSD17B10
SCHEMBL38655800 0.67 MAPK1 (0.43) MAPK1KDM4EALDH1A1LMNAMAPT
SCHEMBL23526528 0.66 KDM4E (0.39) MAPK1KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL31524263 0.66 KDM4E (0.39) MAPK1KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL2387665 0.66 SMN1; SMN2 (0.44) KDM4EALDH1A1LMNASMN1; SMN2MAPT

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-2023109521-A1 PARP INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF 凯复(苏州)生物医药有限公司 2023-06-22 — — WO disclosed
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