SCHEMBL14047580

SCHEMBL14047580

CC1N=C(n2ccn(Cc3ccc(C(F)(F)F)cc3)c2=O)SC1C(=O)NCc1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 3/20 0.50
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ NAMPT P43490 1/20 0.40
▸ SORT1 Q99523 1/20 0.40
▸ HIF1A Q16665 5/20 0.39
▸ EPAS1 Q99814 5/20 0.39
▸ MAPT P10636 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ VNN1 O95497 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ P2RX7 Q99572 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 1/20 0.38

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
SCHEMBL14047605 0.81 SCD (0.47) SCDCYP3A4CYP2C9CYP2C19NAMPT
SCHEMBL14047402 0.78 SCD (0.62) SCD
SCHEMBL14162314 0.76 SCD (0.47) SCDCYP3A4CYP2C9CYP2C19NAMPT
SCHEMBL244543 0.75 SCD (0.76) SCD
SCHEMBL13541755 0.68 P2RX7 (0.44) NAMPTMAPTP2RX7
SCHEMBL13393741 0.68 SCD (0.49) SCDALDH1A1
SCHEMBL14162614 0.67 ALDH1A1 (0.39) CYP3A4CYP2C9CYP2C19NAMPTMAPT
SCHEMBL14047532 0.67 HDAC1 (0.44) SCDKMT2AP2RX7
SCHEMBL14047577 0.67 KMT2A (0.43) SCDCYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL14162281 0.67 SCD (0.45) SCDCYP3A4CYP2C9CYP2C19SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008127349-A2 HETEROCYCLIC COMPOUNDS SUITABLE FOR THE TREATMENT OF DISEASES RELATED TO ELEVATED LIPID LEVEL NOVARTIS AG (CH) 2008-10-23 — — WO disclosed
Send feedback