SCHEMBL20355447

SCHEMBL20355447

NC(=O)c1ccc(F)cc1NC(=O)CCC=O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ HDAC3 O15379 4/20 0.40
▸ HDAC1 Q13547 3/20 0.40
▸ MAPK8 P45983 3/20 0.40
▸ LMNA P02545 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ GRK2 P25098 1/20 0.39
▸ CTDSP1 Q9GZU7 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ AGTR1 P30556 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ HSD17B10 Q99714 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ HPGD P15428 1/20 0.37

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
SCHEMBL20339548 0.85 KDM4E (0.51) POLBRAB9ALMNASMN1; SMN2ALDH1A1
SCHEMBL29902945 0.85 KDM4E (0.51) POLBRAB9ALMNASMN1; SMN2ALDH1A1
SCHEMBL29903006 0.75 MAPK1 (0.51) POLBRAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL20339581 0.75 MAPK1 (0.51) POLBRAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL6462546 0.73 HDAC3 (0.58) POLBRAB9AHDAC3HDAC1LMNA
SCHEMBL28180282 0.73 HDAC1 (0.62) RAB9AHDAC3HDAC1SMN1; SMN2AGTR1
SCHEMBL14829731 0.73 MAPK8 (0.40) MAPK8LMNAAGTR1
SCHEMBL15424907 0.71 CDC7 (0.42) RAB9AHDAC3MAPK8SMN1; SMN2ALDH1A1
SCHEMBL23831225 0.71 GRIK1 (0.49) POLBRAB9ALMNASMN1; SMN2ALDH1A1
SCHEMBL26803617 0.70 MAPK8 (0.40) MAPK8LMNA

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-2018125961-A1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS MITOBRIDGE, INC. (US) 2018-07-05 — — WO disclosed
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