SCHEMBL28634818

SCHEMBL28634818

Cc1cc(C(=O)O)ccc1N/C=C/c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.47
NPC1 O15118 4/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 3/20 0.45
HTT P42858 2/20 0.45
ATM Q13315 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
JAK2 O60674 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
GAA P10253 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
TNFRSF1A P19438 1/20 0.42
LMNA P02545 2/20 0.42
ALOX5 P09917 1/20 0.41
PTGS1 P23219 1/20 0.41

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
SCHEMBL28634819 1.00 RAB9A (0.47) RAB9ANPC1KMT2AMEN1KDM4E
SCHEMBL4920563 0.75 MAPT (0.56) RAB9ANPC1KMT2AMEN1KDM4E
SCHEMBL27351751 0.75 KDM5A (0.67) RAB9ANPC1KMT2AMEN1KDM4E
SCHEMBL28619676 0.72 BCL2L1 (0.65) KMT2AALDH1A1TNFRSF1APTGS1BCL2L1
SCHEMBL8918074 0.71 MMP1 (0.69) KMT2AMEN1MAPTSMN1; SMN2GAA
SCHEMBL8918070 0.71 MMP1 (0.69) KMT2AMEN1MAPTSMN1; SMN2GAA
SCHEMBL27915328 0.70 KDM4E (0.52) NPC1KMT2AMEN1KDM4EALDH1A1
SCHEMBL3586872 0.70 NEU3 (0.58) RAB9ANPC1KMT2AMEN1KDM4E
SCHEMBL2345304 0.69 HCAR3 (0.57) RAB9ANPC1KMT2AMEN1KDM4E
SCHEMBL15550168 0.69 PTGS1 (0.57) TNFRSF1AALOX5PTGS1PTGS2BCL2L1

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
CN-108883099-B Thiazolidinone compounds and use thereof 石全 2021-09-28 CN disclosed