SCHEMBL4587020

SCHEMBL4587020

CC(=O)CC(=O)Nc1cc(CCl)ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
LOXL2 Q9Y4K0 1/20 0.47
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
RIOK2 Q9BVS4 3/20 0.46
NR3C2 P08235 7/20 0.45
GAA P10253 2/20 0.42
MAPK10 P53779 3/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
GSK3A P49840 2/20 0.41
MAPK8 P45983 1/20 0.41
HIPK1 Q86Z02 1/20 0.41

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
SCHEMBL4309482 0.86 L3MBTL1 (0.50) LOXL2NR3C2L3MBTL1GSK3A
Hydrochloric Acid SCHEMBL17161867 0.84 L3MBTL1 (0.49) LOXL2NR3C2L3MBTL1GSK3A
SCHEMBL4307431 0.84 USP2 (0.47) LOXL2RIOK2NR3C2MAPK10RAB9A
SCHEMBL31032933 0.84 RAB9A (0.48) LOXL2RIOK2NR3C2GAARAB9A
SCHEMBL4302326 0.82 NR3C2 (0.46) LOXL2LMNARIOK2NR3C2MAPK10
SCHEMBL9934078 0.81 NR3C2 (0.51) LOXL2RIOK2NR3C2RAB9AMEN1
SCHEMBL20305452 0.80 JAK2 (0.51) LOXL2NR3C2MAPK10SMN1; SMN2ALDH1A1
SCHEMBL4309467 0.80 GCK (0.52) LOXL2RIOK2NR3C2MEN1KMT2A
SCHEMBL4449026 0.80 NR3C2 (0.66) NR3C2
SCHEMBL5197796 0.80 MAPT (0.60) RIOK2GAAMAPK10RAB9ASMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1891047-A4 1-METHYL-1H-PYRAZOLE-4-CARBOXAMIDES USEFUL AS CANCER CHEMOTHERAPEUTIC AGENTS BAYER HEALTHCARE AG (DE) 2008-07-09 EP disclosed
EP-1891047-A2 1-METHYL-1H-PYRAZOLE-4-CARBOXAMIDES USEFUL AS CANCER CHEMOTHERAPEUTIC AGENTS Bayer HealthCare AG (DE) 2008-02-27 EP disclosed
EP-1858893-A1 1,3-THIAZOLE-5-CARBOXAMIDES USEFUL AS CANCER CHEMOTHERAPEUTIC AGENTS Bayer Pharmaceuticals Corporation (US) 2007-11-28 EP disclosed
WO-2006133006-A2 1-METHYL-1H-PYRAZOLE-4-CARBOXAMIDES USEFUL AS CANCER CHEMOTHERAPEUTIC AGENTS BAYER HEALTHCARE AG (DE) 2006-12-14 WO disclosed
WO-2006096338-A1 1,3-THIAZOLE-5-CARBOXAMIDES USEFUL AS CANCER CHEMOTHERAPEUTIC AGENTS BAYER HEALTHCARE AG (DE) 2006-09-14 WO disclosed
WO-2006023707-A2 2-AMINOTHIOPHENECARBOXAMIDES USEFUL AS CANCER CHEMOTHERAPEUTIC AGENTS BAYER PHARMACEUTICALS CORPORATION (US) 2006-03-02 WO disclosed