SCHEMBL30832878

SCHEMBL30832878

O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1-c1ccncc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.62
▸ ALDH1A1 P00352 4/20 0.59
▸ KDM4E B2RXH2 7/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ KLK7 P49862 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ TP53 P04637 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ XDH P47989 1/20 0.48
▸ PDE3B Q13370 1/20 0.48
▸ PDE3A Q14432 1/20 0.48
▸ CHRNB2 P17787 1/20 0.48
▸ CHRNB4 P30926 1/20 0.48
▸ CHRNA3 P32297 1/20 0.48
▸ CHRNA4 P43681 1/20 0.48
▸ KMT2A Q03164 6/20 0.47
▸ MEN1 O00255 5/20 0.47
▸ POLB P06746 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47

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
SCHEMBL20772457 1.00 MAPT (0.62) MAPTALDH1A1KDM4ERAB9AKLK7
SCHEMBL22173221 0.90 MAPT (0.68) MAPTALDH1A1KDM4ERAB9AKLK7
SCHEMBL20772536 0.81 MAPT (0.65) MAPTALDH1A1KDM4ERAB9AKLK7
SCHEMBL18132580 0.78 MAPT (0.73) MAPTALDH1A1KDM4ERAB9AKLK7
SCHEMBL8814916 0.75 L3MBTL1 (0.80) MAPTALDH1A1KDM4EL3MBTL1CHRNB2
SCHEMBL20777365 0.75 MAPT (0.68) MAPTALDH1A1KDM4ERAB9AKLK7
SCHEMBL8817725 0.75 ALDH1A1 (0.64) ALDH1A1KDM4ERAB9AL3MBTL1TP53
SCHEMBL6779138 0.75 ALDH1A1 (1.00) ALDH1A1L3MBTL1TP53CHRNB2CHRNB4
SCHEMBL20772671 0.74 MAPT (0.69) MAPTALDH1A1KDM4ERAB9AKLK7
SCHEMBL17689191 0.73 CYP2C9 (0.72) MAPTALDH1A1KDM4EL3MBTL1MAPK1

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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