SCHEMBL25946008

SCHEMBL25946008

CC(=O)Nc1cccc2c(Br)cccc12

nearest known ligand 0.80

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.80
EPHX1 P07099 2/20 0.58
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
ALDH1A1 P00352 3/20 0.49
HPGD P15428 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.46
POLB P06746 2/20 0.45
CASP6 P55212 1/20 0.45
PKM P14618 1/20 0.45
PARP14 Q460N5 2/20 0.44
ERCC1 P07992 1/20 0.44
FEN1 P39748 1/20 0.44
ERCC4 Q92889 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
SCHEMBL30881878 1.00 RXFP1 (0.80) RXFP1EPHX1KMT2AMEN1ALDH1A1
SCHEMBL6835642 0.89 RXFP1 (1.00) RXFP1EPHX1KMT2AMEN1ALDH1A1
SCHEMBL30064828 0.89 RXFP1 (1.00) RXFP1EPHX1KMT2AMEN1ALDH1A1
SCHEMBL1900214 0.88 RXFP1 (0.66) RXFP1KMT2AMEN1ALDH1A1HPGD
SCHEMBL5515068 0.82 RXFP1 (0.59) RXFP1EPHX1KMT2AMEN1ALDH1A1
SCHEMBL6694336 0.81 RXFP1 (0.53) RXFP1KMT2AMEN1ALDH1A1HPGD
SCHEMBL21387943 0.81 RXFP1 (0.58) RXFP1KMT2AMEN1ALDH1A1HPGD
SCHEMBL29408737 0.80 RXFP1 (0.61) RXFP1KMT2AMEN1ALDH1A1HPGD
SCHEMBL422636 0.80 RXFP1 (0.61) RXFP1KMT2AMEN1ALDH1A1HPGD
SCHEMBL8923243 0.79 ALDH1A1 (0.66) RXFP1EPHX1KMT2AMEN1ALDH1A1

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
WO-2024099269-A1 ARYLAMIDE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, USE THEREOF 华东师范大学 2024-05-16 WO disclosed
CN-118026880-A Aryl amide compound, pharmaceutical composition containing same and application thereof 华东师范大学 2024-05-14 CN disclosed
EP-4209492-A1 COMPOUND FOR TREATING THROMBOTIC DISEASES Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2023-07-12 EP disclosed