SCHEMBL28660419

SCHEMBL28660419

O=C(CNO)Nc1cc(F)ccc1Br

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
MAPT P10636 3/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 3/20 0.42
GRK2 P25098 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PKM P14618 2/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
USP2 O75604 1/20 0.39
F2R P25116 1/20 0.39
RAB9A P51151 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
SCHEMBL7923445 0.82 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL1704181 0.78 ALDH1A1 (0.44) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL30005976 0.76 RXFP1 (0.50) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL375020 0.76 RXFP1 (0.50) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL20560249 0.76 ALOX15 (0.43) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL29716064 0.75 ALDH1A1 (0.44) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL21585803 0.75 ALDH1A1 (0.44) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL24868777 0.72 BTK (0.40) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL28355716 0.72 KMT2A (0.46) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL1282557 0.72 PDK1 (0.45) ALDH1A1MAPTMEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110404497-B Preparation method of polysubstituted bromofluorine substituted benzimidazole compound 北京六合宁远科技有限公司 2021-07-06 CN claimed
CN-110404497-B Preparation method of polysubstituted bromofluorine substituted benzimidazole compound 北京六合宁远科技有限公司 2021-07-06 CN disclosed
CN-110404497-B Preparation method of polysubstituted bromofluorine substituted benzimidazole compound 北京六合宁远科技有限公司 2021-07-06 CN disclosed
CN-110404497-A Preparation method of polysubstituted bromofluorine substituted benzimidazole compound BEIJING LIUHE NINGYUAN TECH CO LTD 2019-11-05 CN disclosed