SCHEMBL14047553

SCHEMBL14047553

Cc1noc(-c2ccccc2)c1CN1CCN(C2=NC(C)C(C(=O)NCc3cccnc3)S2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 8/20 0.47
▸ POLB P06746 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ USP2 O75604 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ TAS2R8 Q9NYW2 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ MEN1 O00255 1/20 0.37

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
SCHEMBL14047591 0.80 HCRTR1 (0.38) ALDH1A1SMN1; SMN2KMT2ARAB9ATP53
SCHEMBL14047539 0.79 SCD (0.53) SCDPOLBALDH1A1KMT2AHDAC1
SCHEMBL14047595 0.79 SCD (0.56) SCDALDH1A1HDAC1CYP3A4
SCHEMBL245194 0.79 SCD (0.77) SCDPOLBRAB9A
SCHEMBL14047625 0.75 SCD (0.57) SCDALDH1A1SMN1; SMN2KMT2ARAB9A
SCHEMBL14047400 0.75 SCD (0.57) SCDALDH1A1SMN1; SMN2KMT2ARAB9A
SCHEMBL14047603 0.75 SCD (0.57) SCDALDH1A1SMN1; SMN2KMT2ATSHR
SCHEMBL14047531 0.74 SCD (0.41) SCDPOLBALDH1A1KMT2ACYP3A4
SCHEMBL14047581 0.72 ALDH1A1 (0.45) SCDPOLBALDH1A1KMT2ARAB9A
SCHEMBL14047407 0.72 SCD (0.44) SCDALDH1A1TP53

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
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