SCHEMBL9335263

SCHEMBL9335263

COc1c(NC(=O)c2ccc(Br)cc2)cccc1N1CCN(C)CC1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.58
POLB P06746 1/20 0.58
F10 P00742 6/20 0.55
KMT2A Q03164 3/20 0.53
HSD17B10 Q99714 2/20 0.53
MEN1 O00255 2/20 0.53
GAA P10253 3/20 0.52
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
HPGD P15428 1/20 0.52
WDR5 P61964 1/20 0.52
HTR1F P30939 1/20 0.51
HTT P42858 1/20 0.49
MAPK10 P53779 1/20 0.49
KLKB1 P03952 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL9332871 0.85 MAPK1 (0.62) MAPK1POLBF10KMT2AHSD17B10
SCHEMBL9332863 0.82 KMT2A (0.51) MAPK1POLBKMT2AHSD17B10MEN1
SCHEMBL9332899 0.78 HTR1D (0.59) POLBALDH1A1HTR1F
SCHEMBL9567470 0.77 HTR1D (0.53) MAPK1POLBF10KMT2AHSD17B10
SCHEMBL5649484 0.75 HDAC1 (0.58) MAPK1F10KMT2AKDM4E
SCHEMBL7805150 0.75 HTR1D (0.77) MAPK1POLBKMT2AHSD17B10MEN1
SCHEMBL675442 0.75 HTR1D (0.71) MAPK1KMT2AHSD17B10MEN1ALDH1A1
SCHEMBL8759265 0.73 LMNA (0.61) MAPK1KMT2AMEN1GAAALDH1A1
SCHEMBL8985995 0.73 HTR1D (0.74) POLBKMT2AHSD17B10MEN1ALDH1A1
SCHEMBL5647682 0.71 POLB (0.54) MAPK1POLBKMT2AMEN1GAA

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
US-5358948-A Psychological, nervous system disorders GLAXCO GROUP LIMITED (GB) 1994-10-25 US disclosed
WO-1993006084-A1 BENZANILIDE DERIVATIVES AS 5-HT1D ANTAGONISTS GLAXO GROUP LIMITED (GB) 1993-04-01 WO disclosed
EP-0533267-A1 Benzanilide derivatives as 5-HT1D antagonists GLAXO GROUP LIMITED (GB) 1993-03-24 EP disclosed