SCHEMBL23073618

SCHEMBL23073618

NC(=O)c1cc(F)ccc1NC(=S)CCC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.38
▸ POLB P06746 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KEAP1 Q14145 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HDAC1 Q13547 2/20 0.37
▸ MAPK8 P45983 2/20 0.36
▸ KCNK2 O95069 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RPS6KB1 P23443 2/20 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
SCHEMBL29903006 0.86 MAPK1 (0.51) MAPK1POLBRAB9AALDH1A1HPGD
SCHEMBL20339581 0.86 MAPK1 (0.51) MAPK1POLBRAB9AALDH1A1HPGD
SCHEMBL4365650 0.76 PTPN1 (0.49) RAB9AKEAP1ALDH1A1MAPTHDAC1
SCHEMBL20339548 0.75 KDM4E (0.51) MAPK1POLBRAB9AALDH1A1LMNA
SCHEMBL29902945 0.75 KDM4E (0.51) MAPK1POLBRAB9AALDH1A1LMNA
SCHEMBL21794443 0.71 ALDH1A1 (0.50) POLBALDH1A1LMNAMAPTHPGD
SCHEMBL23073616 0.71 KDM4E (0.64) KEAP1ALDH1A1LMNAMAPTHDAC1
SCHEMBL5261897 0.70 JAK2 (0.46) RAB9AKEAP1ALDH1A1MAPTHPGD
SCHEMBL11649083 0.70 NPC1 (0.55) RAB9AALDH1A1MAPTHPGDHTT
SCHEMBL7541890 0.69 KEAP1 (0.55) RAB9AKEAP1ALDH1A1MAPTHDAC1

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
EP-3562822-B1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS MITOBRIDGE INC (US) 2021-03-10 — — EP disclosed
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