SCHEMBL28007482

SCHEMBL28007482

O=C(CBr)Nc1ccc(F)cc1Br

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.51
CA2 P00918 6/20 0.51
ALDH1A1 P00352 4/20 0.51
CA12 O43570 1/20 0.51
CA9 Q16790 1/20 0.51
MAPT P10636 3/20 0.47
HPGD P15428 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
LMNA P02545 1/20 0.45
THRB P10828 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
AKT1 P31749 1/20 0.44

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
SCHEMBL29678316 0.85 ALDH1A1 (0.51) CA1CA2ALDH1A1CA12CA9
SCHEMBL5913136 0.85 ALDH1A1 (0.51) CA1CA2ALDH1A1CA12CA9
SCHEMBL6036198 0.84 RAB9A (0.59) ALDH1A1L3MBTL1KMT2AMEN1LMNA
SCHEMBL30938481 0.84 RAB9A (0.59) ALDH1A1L3MBTL1KMT2AMEN1LMNA
SCHEMBL1116483 0.83 ALDH1A1 (0.52) CA1CA2ALDH1A1CA12CA9
SCHEMBL6354673 0.82 NPC1 (0.59) CA1CA2ALDH1A1MAPTHPGD
SCHEMBL17938258 0.82 HTT (0.53) CA1CA2ALDH1A1CA12CA9
SCHEMBL31384714 0.81 KMT2A (0.62) CA1CA2ALDH1A1CA12CA9
SCHEMBL4005420 0.81 ALDH1A1 (0.63) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL1259882 0.81 CA1 (0.50) CA1CA2ALDH1A1CA12CA9

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-116478049-A Method for synthesizing 2-bromo-4-fluoroaniline 苏利(宁夏)新材料科技有限公司 2023-07-25 CN disclosed
CN-116478049-A Method for synthesizing 2-bromo-4-fluoroaniline 苏利(宁夏)新材料科技有限公司 2023-07-25 CN disclosed
CN-104447382-A Preparation method of 2-bromo-4-fluoroacetanilide CHANGZHOU CHEMICAL RES INST CO LTD 2015-03-25 CN disclosed
CN-104447382-A Preparation method of 2-bromo-4-fluoroacetanilide CHANGZHOU CHEMICAL RES INST CO LTD 2015-03-25 CN disclosed