SCHEMBL28800167

SCHEMBL28800167

CCc1ccc(-n2c(C)nc(C)c2C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.49
PTGER4 P35408 12/20 0.46
PDE2A O00408 1/20 0.45
PHGDH O43175 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NR1H4 Q96RI1 1/20 0.43

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
SCHEMBL28800169 1.00 ALDH1A1 (0.49) ALDH1A1LMNAPTGER4PDE2APHGDH
SCHEMBL28800181 0.91 ALDH1A1 (0.48) ALDH1A1LMNAPTGER4PDE2AL3MBTL1
SCHEMBL28800180 0.91 ALDH1A1 (0.48) ALDH1A1LMNAPTGER4PDE2AL3MBTL1
SCHEMBL28800158 0.89 TDP1 (0.49) ALDH1A1PTGER4PHGDHNR1H4
SCHEMBL28800155 0.89 TDP1 (0.49) ALDH1A1PTGER4PHGDHNR1H4
SCHEMBL28800183 0.88 ALDH1A1 (0.43) ALDH1A1LMNAPTGER4PDE2APHGDH
SCHEMBL28800165 0.87 PTGER4 (0.52) ALDH1A1PTGER4PHGDHNR1H4
SCHEMBL28800166 0.87 PTGER4 (0.52) ALDH1A1PTGER4PHGDHNR1H4
SCHEMBL28800173 0.87 PTGER4 (0.52) ALDH1A1LMNAPTGER4NR1H4
SCHEMBL28800170 0.87 PTGER4 (0.52) ALDH1A1LMNAPTGER4NR1H4

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-114790176-A Imidazole compound and preparation method and application thereof 武汉人福创新药物研发中心有限公司 2022-07-26 CN disclosed