SCHEMBL25258767

SCHEMBL25258767

O=[N+]([O-])c1cc2c(cc1NCc1ccc(Br)cc1)OCO2

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.54
▸ L3MBTL1 Q9Y468 7/20 0.54
▸ MEN1 O00255 6/20 0.54
▸ KMT2A Q03164 6/20 0.54
▸ POLB P06746 1/20 0.48
▸ MCL1 Q07820 1/20 0.48
▸ ALDH1A1 P00352 5/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ TDP1 Q9NUW8 4/20 0.46
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ HSP90AA1 P07900 1/20 0.43
▸ CRHBP P24387 1/20 0.42
▸ CRHR2 Q13324 1/20 0.42
▸ EGFR P00533 1/20 0.42
▸ IGF1R P08069 1/20 0.42
▸ IDO1 P14902 1/20 0.41
▸ TDO2 P48775 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
SCHEMBL30581426 0.92 MAPT (0.65) MAPTL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL25257088 0.92 MAPT (0.65) MAPTL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL25254166 0.77 MAPT (0.61) MAPTL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL13497817 0.76 MAPT (0.53) MAPTL3MBTL1MEN1KMT2APOLB
SCHEMBL25258715 0.75 MAPT (0.52) MAPTL3MBTL1MEN1KMT2APOLB
SCHEMBL9682067 0.75 MAPT (0.76) MAPTL3MBTL1MEN1KMT2APOLB
SCHEMBL16043208 0.75 MAPT (0.53) MAPTL3MBTL1MEN1KMT2AKDM4E
SCHEMBL13331973 0.75 HTR6 (0.56) MAPTL3MBTL1MEN1KMT2APOLB
SCHEMBL9682931 0.75 MAPT (0.58) MAPTL3MBTL1MEN1KMT2APOLB
SCHEMBL2475101 0.75 MAPT (0.56) MAPTL3MBTL1MEN1KMT2AKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118401531-A Benzimidazole compound and medical application thereof 中国科学院上海药物研究所 2024-07-26 — — CN disclosed
WO-2023131333-A1 BENZIMIDAZOLE COMPOUND AND MEDICAL USE THEREOF 中国科学院上海药物研究所 2023-07-13 — — WO disclosed
WO-2023131333-A1 BENZIMIDAZOLE COMPOUND AND MEDICAL USE THEREOF 中国科学院上海药物研究所 2023-07-13 — — WO disclosed
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