SCHEMBL30832831

SCHEMBL30832831

O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1Cc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.64
▸ KDM4E B2RXH2 7/20 0.53
▸ ALDH1A1 P00352 4/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ PARP1 P09874 1/20 0.52
▸ KLK7 P49862 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ MAPK1 P28482 1/20 0.50
▸ XDH P47989 1/20 0.49
▸ KMT2A Q03164 5/20 0.48
▸ MEN1 O00255 4/20 0.48
▸ GRIN2D O15399 1/20 0.48
▸ GRIN3B O60391 1/20 0.48
▸ GRIN1 Q05586 1/20 0.48
▸ GRIN2A Q12879 1/20 0.48
▸ GRIN2B Q13224 1/20 0.48
▸ GRIN2C Q14957 1/20 0.48
▸ GRIN3A Q8TCU5 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ LMNA P02545 1/20 0.48

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
SCHEMBL20777435 1.00 MAPT (0.64) MAPTKDM4EALDH1A1RAB9APARP1
SCHEMBL18132580 0.82 MAPT (0.73) MAPTKDM4EALDH1A1RAB9AKLK7
SCHEMBL22173221 0.79 MAPT (0.68) MAPTKDM4EALDH1A1RAB9AKLK7
SCHEMBL8971238 0.78 ALDH1A1 (0.73) MAPTKDM4EALDH1A1RAB9APARP1
SCHEMBL20772671 0.77 MAPT (0.69) MAPTKDM4EALDH1A1RAB9AKLK7
SCHEMBL20772536 0.77 MAPT (0.65) MAPTKDM4EALDH1A1RAB9AKLK7
SCHEMBL20777365 0.76 MAPT (0.68) MAPTKDM4EALDH1A1RAB9AKLK7
SCHEMBL5235008 0.75 ALDH1A1 (0.50) MAPTKDM4EALDH1A1RAB9APARP1
SCHEMBL6581654 0.75 KDM4E (0.54) KDM4EALDH1A1RAB9APARP1KMT2A
SCHEMBL5238436 0.75 TSHR (0.65) KDM4EALDH1A1KMT2AMEN1LMNA

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-111315735-B Dihydrobenzimidazolone C4医药公司 2024-03-08 — — CN disclosed
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