SCHEMBL30853593

SCHEMBL30853593

O=C(O)c1cc(-c2ccccn2)nc2ccc(Br)cc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 9/20 0.69
NPSR1 Q6W5P4 5/20 0.69
LMNA P02545 1/20 0.69
PTPN7 P35236 1/20 0.69
DUSP3 P51452 1/20 0.69
MEN1 O00255 6/20 0.62
KMT2A Q03164 6/20 0.62
GAA P10253 1/20 0.62
PKM P14618 1/20 0.61
DHODH Q02127 4/20 0.60
MAPT P10636 4/20 0.60
PPARG P37231 3/20 0.60
NCOR2 Q9Y618 3/20 0.60
KDM4E B2RXH2 2/20 0.60
ALDH1A1 P00352 2/20 0.60
POLB P06746 2/20 0.60
HPGD P15428 2/20 0.60
RECQL P46063 2/20 0.60
TDP1 Q9NUW8 2/20 0.60
L3MBTL1 Q9Y468 2/20 0.60

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
SCHEMBL4991518 1.00 RXFP1 (0.69) RXFP1NPSR1LMNAPTPN7DUSP3
SCHEMBL31512357 0.84 DHODH (0.81) NPSR1LMNAPKMDHODHMAPT
SCHEMBL7813290 0.84 DHODH (0.81) NPSR1LMNAPKMDHODHMAPT
SCHEMBL14171750 0.83 NPSR1 (0.60) RXFP1NPSR1LMNAPTPN7DUSP3
SCHEMBL1899098 0.83 RXFP1 (0.79) RXFP1NPSR1LMNAMEN1KMT2A
SCHEMBL4986297 0.81 NPSR1 (0.57) RXFP1NPSR1LMNAPTPN7DUSP3
SCHEMBL12237494 0.81 RXFP1 (0.75) RXFP1NPSR1LMNAMEN1KMT2A
SCHEMBL4992136 0.80 RXFP1 (0.50) RXFP1NPSR1LMNAPTPN7DUSP3
SCHEMBL4255361 0.80 DHODH (0.61) RXFP1NPSR1LMNAPTPN7DUSP3
SCHEMBL117430 0.79 EPRS1 (0.79) RXFP1NPSR1LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117935945-A Screening method of Cu-TEMPO catalytic system 内蒙古工业大学 2024-04-26 CN disclosed