SCHEMBL14047603

SCHEMBL14047603

CC1N=C(N2CCN(Cc3ccccc3)C2=O)SC1C(=O)NCc1ccccn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 6/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ TSHR P16473 1/20 0.45
▸ MEN1 O00255 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ PKM P14618 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ CACNA1G O43497 1/20 0.41
▸ CACNA1H O95180 1/20 0.41
▸ CACNA1I Q9P0X4 1/20 0.41
▸ APOBEC3A P31941 1/20 0.41

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
SCHEMBL14047421 0.93 SCD (0.59) SCDSMN1; SMN2TSHRMEN1KMT2A
SCHEMBL14047539 0.91 SCD (0.53) SCDKMT2AKDM4EALDH1A1CACNA1G
SCHEMBL14047595 0.88 SCD (0.56) SCDALDH1A1CACNA1GCACNA1HCACNA1I
SCHEMBL14047625 0.86 SCD (0.57) SCDSMN1; SMN2TSHRMEN1KMT2A
SCHEMBL14047400 0.86 SCD (0.57) SCDSMN1; SMN2TSHRMEN1KMT2A
SCHEMBL14047409 0.82 SCD (0.47) SCDSMN1; SMN2TSHRKDM4EMAPT
SCHEMBL14047404 0.82 SCD (0.47) SCDSMN1; SMN2TSHRKDM4EMAPT
SCHEMBL14047531 0.81 SCD (0.41) SCDKMT2APKMALDH1A1CACNA1G
SCHEMBL14047581 0.79 ALDH1A1 (0.45) SCDMEN1KMT2APKMALDH1A1
SCHEMBL14047532 0.78 HDAC1 (0.44) SCDKMT2A

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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