SCHEMBL25911846

SCHEMBL25911846

Nc1ccc(F)nc1/C=C/C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.56
▸ AKR1B10 O60218 6/20 0.52
▸ AKR1B1 P15121 6/20 0.52
▸ CA12 O43570 2/20 0.52
▸ CA4 P22748 2/20 0.52
▸ CA6 P23280 2/20 0.52
▸ CA5A P35218 2/20 0.52
▸ CA7 P43166 2/20 0.52
▸ CA9 Q16790 2/20 0.52
▸ CA14 Q9ULX7 2/20 0.52
▸ CA5B Q9Y2D0 2/20 0.52
▸ HCAR2 Q8TDS4 4/20 0.51
▸ ALDH1A1 P00352 5/20 0.50
▸ TTR P02766 1/20 0.48
▸ POLB P06746 1/20 0.47
▸ MAOB P27338 2/20 0.40
▸ MAOA P21397 1/20 0.39
▸ RAB9A P51151 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL21265229 0.83 CA12 (0.46) LMNACA12CA7CA9CA14
SCHEMBL19233346 0.78 KDM4E (0.42) LMNACA12CA7CA9CA14
SCHEMBL21248123 0.77 HCAR2 (0.41) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL357565 0.73 HCAR2 (0.89) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL337503 0.73 HCAR2 (0.89) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL337504 0.73 HCAR2 (0.89) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL1092833 0.73 LMNA (0.70) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL13552179 0.73 LMNA (0.93) LMNAAKR1B10AKR1B1CA12CA4
Benzyl Cinnamate SCHEMBL43213 0.73 LMNA (1.00) LMNAAKR1B10AKR1B1CA12CA4
Benzyl Cinnamate SCHEMBL43212 0.73 LMNA (1.00) LMNAAKR1B10AKR1B1CA12CA4

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-2023125812-A1 SUBSTITUTED PYRIMIDONE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION AND MEDICAL USE THEREOF 上海海雁医药科技有限公司 2023-07-06 — — WO disclosed
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