SCHEMBL7985204

SCHEMBL7985204

CC(NC(=S)Nc1cccnc1NC(=O)c1cscn1)c1ccccc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.42
PIM1 P11309 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
GAA P10253 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
GRM4 Q14833 2/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
POLB P06746 1/20 0.33

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
SCHEMBL7744024 0.84 HTT (0.47) HTTPIM1ALDH1A1MEN1KMT2A
SCHEMBL7132908 0.79 GPR139 (0.42)
SCHEMBL7074298 0.79 RAB9A (0.44) HTTALDH1A1MEN1KMT2AMAPT
SCHEMBL7743927 0.71 MEN1 (0.42) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL7737888 0.70 GRM4 (0.44) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL26627416 0.70 L3MBTL1 (0.56) HTTALDH1A1MEN1KMT2AMAPT
SCHEMBL27959536 0.69 PIM1 (0.56) HTTPIM1ALDH1A1MAPTNPC1
SCHEMBL7743468 0.69 GRM4 (0.41) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL7743962 0.68 F7 (0.46) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL7743905 0.67 KMT2A (0.42) HTTALDH1A1MEN1KMT2AMAPT

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-6271236-B1 PHENYL UREAS/THIOUREAS AS INHIBITORS OF INOSINE MONOPHOSPHATE DEHYDROGENASE ENZYME, USEFUL IN TREATING HUMAN CYTOMEGALOVIRUS, HERPES SIMPLEX VIRUSES, EPSTEIN-BARR VIRUS, AND VARICELLA-ZOSTER VIRUS WYETH 2001-08-07 US disclosed