SCHEMBL25254166

SCHEMBL25254166

Nc1cc2c(cc1NCc1ccc(Br)cc1)OCO2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.61
▸ MEN1 O00255 3/20 0.61
▸ KMT2A Q03164 3/20 0.61
▸ L3MBTL1 Q9Y468 2/20 0.61
▸ HSP90AA1 P07900 1/20 0.45
▸ KDM4E B2RXH2 3/20 0.43
▸ HTT P42858 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ HBB P68871 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CYP1A2 P05177 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42

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
SCHEMBL30581459 0.91 MAPT (0.74) MAPTMEN1KMT2AL3MBTL1HSP90AA1
SCHEMBL25257373 0.91 MAPT (0.74) MAPTMEN1KMT2AL3MBTL1HSP90AA1
SCHEMBL25258767 0.77 MAPT (0.54) MAPTMEN1KMT2AL3MBTL1HSP90AA1
SCHEMBL6832159 0.72 HSP90AA1 (0.63) MAPTMEN1KMT2AL3MBTL1HSP90AA1
SCHEMBL25296914 0.72 MAPT (0.49) MAPTMEN1KMT2AL3MBTL1KDM4E
SCHEMBL7102632 0.71 CYP3A4 (0.52) MAPTKMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL16044561 0.71 AGER (0.56) MAPTMEN1KMT2AL3MBTL1HSP90AA1
SCHEMBL9682901 0.71 MAPT (0.43) MAPTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL14847556 0.71 MAPT (0.43) MAPTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL13332614 0.71 KMT2A (0.51) MAPTMEN1KMT2AL3MBTL1KDM4E

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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