SCHEMBL8335283

SCHEMBL8335283

O=C(O)Cc1cc(-c2ccccn2)nc2cc(Br)ccc12

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 6/20 0.51
RXFP1 Q9HBX9 4/20 0.51
LMNA P02545 2/20 0.51
PTPN7 P35236 1/20 0.51
DUSP3 P51452 1/20 0.51
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
GAA P10253 1/20 0.48
PKM P14618 1/20 0.48
MAPT P10636 2/20 0.47
ADORA3 P0DMS8 1/20 0.45
CYP2C9 P11712 4/20 0.44
CYP3A4 P08684 2/20 0.44
TDP1 Q9NUW8 1/20 0.42
DHODH Q02127 1/20 0.41
MAPK1 P28482 1/20 0.41
METAP1 P53582 1/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL7952415 0.87 CYP2C9 (0.56) NPSR1LMNAPKMMAPTADORA3
SCHEMBL8334151 0.86 ADORA3 (0.46) NPSR1LMNAPKMADORA3CYP2C9
SCHEMBL8335356 0.85 KDM4E (0.52) NPSR1MAPTADORA3CYP2C9CYP3A4
SCHEMBL8335315 0.85 ADORA3 (0.45) NPSR1LMNAGAAPKMMAPT
SCHEMBL8335971 0.85 ADORA3 (0.45) NPSR1RXFP1LMNAPTPN7DUSP3
SCHEMBL8334494 0.85 KMT2A (0.48) NPSR1RXFP1MEN1KMT2APKM
SCHEMBL8336808 0.84 NPSR1 (0.46) NPSR1RXFP1LMNAPTPN7DUSP3
SCHEMBL8334301 0.81 METAP1 (0.49) NPSR1RXFP1LMNAMEN1KMT2A
SCHEMBL27570979 0.77 SLC22A12 (0.48) RXFP1MAPTTDP1KDM4E
SCHEMBL30853593 0.75 RXFP1 (0.69) NPSR1RXFP1LMNAPTPN7DUSP3

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
US-5969150-A FLUORESCENT COMPOUNDS FOR MEDICAL DIAGNOSIS, DRUGS AND LABELS OR FUNGICIDES AND VIRICIDES THE ROCKEFELLER UNIVERSITY (US) 1999-10-19 US disclosed