SCHEMBL14047577

SCHEMBL14047577

CC1N=C(N2C(=O)N(CCc3ccc(F)cc3)CC2O)SC1C(=O)NCc1cccnc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ TSHR P16473 3/20 0.41
▸ SCD O00767 3/20 0.41
▸ GAA P10253 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ CYP2C9 P11712 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ NPSR1 Q6W5P4 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
SCHEMBL14047605 0.84 SCD (0.47) KMT2AMEN1SCDSMN1; SMN2CYP2C9
SCHEMBL14047406 0.83 SCD (0.44) KMT2AMEN1TSHRSCDSMN1; SMN2
SCHEMBL240669 0.78 SCD (0.64) SCDSMN1; SMN2TDP1KDM4E
SCHEMBL14047402 0.75 SCD (0.62) SCDGAA
SCHEMBL14047625 0.70 SCD (0.57) KMT2AMEN1TSHRSCDSMN1; SMN2
SCHEMBL14047400 0.70 SCD (0.57) KMT2AMEN1TSHRSCDSMN1; SMN2
SCHEMBL244533 0.69 SCD (0.73) SCD
SCHEMBL14162281 0.69 SCD (0.45) TSHRSCDGAASMN1; SMN2ALDH1A1
SCHEMBL14047409 0.67 SCD (0.47) TSHRSCDSMN1; SMN2KDM4E
SCHEMBL14047421 0.66 SCD (0.59) KMT2AMEN1TSHRSCDSMN1; 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