SCHEMBL25434704

SCHEMBL25434704

Nc1ccc(-n2cccc2NC(=O)O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK13 O15264 2/20 0.38
▸ MAPK12 P53778 2/20 0.38
▸ MAPK11 Q15759 2/20 0.38
▸ MAPK14 Q16539 2/20 0.38
▸ MAPT P10636 4/20 0.36
▸ RAB9A P51151 4/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ RECQL P46063 2/20 0.35
▸ GAA P10253 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ POLB P06746 3/20 0.33
▸ TDP1 Q9NUW8 3/20 0.33
▸ APEX1 P27695 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ NOTUM Q6P988 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ HTT P42858 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
SCHEMBL25432780 0.78 ALDH1A1 (0.47) MAPTRAB9ASMN1; SMN2RECQLKDM4E
SCHEMBL15058294 0.74 POLB (0.50) SMN1; SMN2RECQLPOLBTDP1APEX1
SCHEMBL28057093 0.70 RECQL (0.43) SMN1; SMN2RECQLKDM4EPOLBTDP1
SCHEMBL15058993 0.69 RECQL (0.43) MAPTRAB9ASMN1; SMN2RECQLGAA
SCHEMBL4414820 0.68 MKNK1 (0.39) MAPTRAB9ASMN1; SMN2RECQLGAA
SCHEMBL3834300 0.67 ALDH1A1 (0.40) MAPTRAB9ASMN1; SMN2RECQLKDM4E
SCHEMBL27630469 0.67 RECQL (0.38) MAPTRECQLPOLBTDP1APEX1
SCHEMBL3879873 0.66 CSF1R (0.36) MAPK13MAPK12MAPK11MAPK14
SCHEMBL3038302 0.65 MAPT (0.70) MAPTRAB9ASMN1; SMN2GAAKDM4E
SCHEMBL76912 0.65 SMN1; SMN2 (0.52) RAB9ASMN1; SMN2GAAKDM4EHTT

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-2023170025-A1 AMIDO CYCLOPROPYL DERIVATIVES AS LPA RECEPTOR INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2023-09-14 — — WO disclosed
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