SCHEMBL458020

SCHEMBL458020

Cc1[c]c(-c2ccc(C(F)(F)F)cc2)n[nH]1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
ATM Q13315 1/20 0.43
NOTUM Q6P988 1/20 0.41
KIF11 P52732 5/20 0.41
DHODH Q02127 4/20 0.40
NISCH Q9Y2I1 1/20 0.37
GFER P55789 1/20 0.37
TNIK Q9UKE5 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL457066 0.79 KDM4E (0.40) KDM4ENPC1POLBRAB9AATM
SCHEMBL455865 0.77 SMN1; SMN2 (0.46) KDM4ENPC1RAB9AATMLMNA
SCHEMBL456840 0.77 IKBKB (0.43) KDM4EPOLBNOTUMGFERMKNK1
SCHEMBL3051778 0.67 NPC1 (0.61) KDM4ENPC1POLBRAB9AATM
SCHEMBL1041002 0.67 HDAC3 (0.55) KDM4ENPC1POLBRAB9AATM
SCHEMBL1435664 0.67 GFER (0.45) KDM4ENPC1POLBRAB9AATM
SCHEMBL3055345 0.67 TNIK (0.52) KDM4ENPC1POLBRAB9AATM
SCHEMBL6203307 0.66 DHODH (0.43) KDM4ENPC1POLBRAB9AATM
SCHEMBL1559080 0.65
SCHEMBL197238 0.65 KIF11 (0.78) KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2614053-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2013-07-17 EP disclosed
WO-2012033225-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-15 WO disclosed