SCHEMBL7845382

SCHEMBL7845382

O=C(O)CCNC(=O)c1cc(Br)c[nH]1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.60
DAO P14920 2/20 0.59
CREBBP Q92793 1/20 0.56
EGLN1 Q9GZT9 1/20 0.50
VIP P01282 1/20 0.46
LMNA P02545 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KCNA6 P17658 1/20 0.45
KCNA3 P22001 1/20 0.45
KCNA4 P22459 1/20 0.45
KCNA5 P22460 1/20 0.45
HRH3 Q9Y5N1 5/20 0.45
ADRA2A P08913 1/20 0.44
ADRA1D P25100 1/20 0.44
SCN9A Q15858 1/20 0.40
SCN3A Q9NY46 1/20 0.40
IDO1 P14902 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL7843475 0.83 CREBBP (0.55) PKMDAOCREBBPEGLN1VIP
SCHEMBL24080898 0.80 CREBBP (0.51) PKMDAOCREBBPVIPKCNA6
SCHEMBL29953684 0.78 SMYD3 (0.51) EGLN1L3MBTL1MEN1KMT2A
SCHEMBL13655571 0.76 PKM (0.51) PKMDAOCREBBPVIPKCNA6
SCHEMBL23952430 0.75 CREBBP (0.67) PKMDAOCREBBPVIPLMNA
SCHEMBL3422729 0.74 DAO (0.54) DAOLMNAL3MBTL1KCNA6KCNA3
SCHEMBL15228546 0.74 KCNA6 (0.57) PKMDAOCREBBPVIPKCNA6
SCHEMBL15232609 0.74 KCNA6 (0.57) PKMDAOCREBBPVIPKCNA6
SCHEMBL15598660 0.73 PKM (0.48) PKMDAOCREBBPVIPL3MBTL1
SCHEMBL12999418 0.72 EGLN1 (0.45) EGLN1LMNAL3MBTL1

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
EP-0711773-B1 HYMENIALDISINE AND DERIVATIVE THEREOF, PROCESS FOR PRODUCING INTERMEDIATE FOR SYNTHESIZING THE SAME, AND SAID INTERMEDIATE SUNTORY LTD (JP) 2001-09-12 EP disclosed
US-5621099-A CARDIOVASCULAR DISORDERS SUNTORY LIMITED (JP) 1997-04-15 US disclosed
EP-0711773-A1 HYMENIALDISINE AND DERIVATIVE THEREOF, PROCESS FOR PRODUCING INTERMEDIATE FOR SYNTHESIZING THE SAME, AND SAID INTERMEDIATE SUNTORY LIMITED (JP) 1996-05-15 EP disclosed