SCHEMBL5331447

SCHEMBL5331447

Cc1cc(=O)nc(SCc2ccccc2)[nH]1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.61
KMT2A Q03164 3/20 0.61
PKM P14618 2/20 0.61
LMNA P02545 1/20 0.61
SCN9A Q15858 1/20 0.57
TSHR P16473 1/20 0.57
GFER P55789 1/20 0.57
RAB9A P51151 3/20 0.57
ALDH1A1 P00352 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
HPGD P15428 2/20 0.56
MAOB P27338 1/20 0.55
NPC1 O15118 2/20 0.51
CTSB P07858 2/20 0.51
XDH P47989 1/20 0.51
POLB P06746 1/20 0.51
DAO P14920 1/20 0.50
HTT P42858 1/20 0.50
MEN1 O00255 1/20 0.50
PPARG P37231 1/20 0.50

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
SCHEMBL842961 0.82 SCN9A (0.65) MAPTKMT2APKMLMNASCN9A
SCHEMBL18063501 0.79 HPGD (0.73) MAPTKMT2APKMLMNASCN9A
SCHEMBL143289 0.76 ALDH1A1 (0.50) MAPTKMT2APKMSCN9ATSHR
SCHEMBL15331839 0.73 MAPT (0.42) MAPTKMT2APKMLMNARAB9A
SCHEMBL20828281 0.72 LMNA (0.74) MAPTKMT2ALMNATSHRALDH1A1
SCHEMBL27765160 0.72 HPGD (0.60) LMNATSHRGFERRAB9AALDH1A1
SCHEMBL6110139 0.72 SMN1; SMN2 (0.58) MAPTKMT2APKMLMNASCN9A
SCHEMBL15693644 0.72 NPC1 (0.66) MAPTKMT2ALMNATSHRRAB9A
SCHEMBL27765163 0.72 HPGD (0.73) MAPTKMT2APKMLMNASCN9A
SCHEMBL13563413 0.72 HPGD (0.46) MAPTKMT2ALMNASCN9ATSHR

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
WO-2007048064-A2 AMINO-PYRIMIDINES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS, INC. (US) 2007-04-26 WO disclosed