SCHEMBL14744244

SCHEMBL14744244

COC(=O)c1cc(NC(=O)Cc2ccncc2)c2c(Cl)cc(Cl)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 3/20 0.49
MAPK10 P53779 3/20 0.49
NOD2 Q9HC29 1/20 0.46
POLB P06746 2/20 0.44
HTT P42858 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 2/20 0.41
RORC P51449 2/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
GALR3 O60755 1/20 0.40
NR2F2 P24468 1/20 0.40
KDM5A P29375 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
ROCK2 O75116 1/20 0.40
PRKCA P17252 1/20 0.40
GRK2 P25098 1/20 0.40
DNMT1 P26358 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
SCHEMBL14743294 0.90 POLB (0.55) MAPK8MAPK10POLBHTTNPC1
SCHEMBL14743578 0.89 RORC (0.44) NOD2POLBHTTALDH1A1RORC
SCHEMBL14743690 0.88 KDM4C (0.47) MAPK8MAPK10NOD2HTTNPC1
SCHEMBL14743107 0.84 LMNA (0.49) MAPK10POLBNPC1RAB9AALDH1A1
SCHEMBL14743545 0.83 CHUK (0.46) POLBHTTNPC1RAB9AALDH1A1
SCHEMBL14743078 0.81 HTT (0.50) MAPK8MAPK10POLBHTTNPC1
SCHEMBL14744260 0.80 SMN1; SMN2 (0.55) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL14743310 0.78 MEN1 (0.52) POLBHTTNPC1RAB9AALDH1A1
SCHEMBL14743950 0.78 PYGL (0.46) MAPK10HTTRAB9AALDH1A1MEN1
SCHEMBL14744254 0.78 POLB (0.49) POLBHTTNPC1RAB9AALDH1A1

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-2013030358-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO. KGAA (DE) 2013-03-07 WO disclosed