SCHEMBL6532213

SCHEMBL6532213

CCOC(=O)c1cn(-c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)nc1C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 7/20 0.61
LMNA P02545 1/20 0.55
POLB P06746 1/20 0.55
MAPT P10636 7/20 0.52
KDM4E B2RXH2 2/20 0.51
HPGD P15428 1/20 0.51
TP53 P04637 2/20 0.50
ORAI1 Q96D31 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
AURKA O14965 2/20 0.48
P2RY12 Q9H244 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL408365 0.89 DGAT1 (0.59) DGAT1LMNAPOLBMAPTKDM4E
SCHEMBL22324675 0.81 DGAT1 (0.55) DGAT1LMNAORAI1NPC1RAB9A
SCHEMBL31470820 0.79 LMNA (0.56) DGAT1LMNAPOLBMAPTORAI1
SCHEMBL408901 0.79 NPC1 (0.60) DGAT1LMNAKDM4ENPC1RAB9A
SCHEMBL8140350 0.79 MAPT (0.71) MAPTKDM4EHPGDTP53ORAI1
SCHEMBL5608275 0.79 DGAT1 (0.53) DGAT1LMNANPC1RAB9A
SCHEMBL24303811 0.78 CA12 (0.56) DGAT1LMNAMAPTKDM4ETP53
SCHEMBL408172 0.78 NPSR1 (0.60) DGAT1POLBMAPTNPC1RAB9A
SCHEMBL22324674 0.77 DGAT1 (0.65) DGAT1
SCHEMBL4298343 0.77 DGAT1 (0.67) DGAT1LMNANPC1RAB9A

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-6958339-B2 Pyrazole derivative ASTELLAS PHARMA INC. (JP) 2005-10-25 US disclosed