SCHEMBL14047641

SCHEMBL14047641

CC1C=C(N2CCN(Cc3ccc(F)cc3)C2=O)SC1C(=O)NCc1cnc2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 9/20 0.46
▸ FAAH O00519 3/20 0.41
▸ TSHR P16473 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HDAC1 Q13547 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ CACNA1G O43497 1/20 0.37
▸ CACNA1H O95180 1/20 0.37
▸ CACNA1I Q9P0X4 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
SCHEMBL14047587 0.80 TSHR (0.59) SCDTSHRMAPTTP53HDAC1
SCHEMBL242939 0.77 SCD (0.62) SCDFAAHTSHRKDM4ELMNA
SCHEMBL14047400 0.72 SCD (0.57) SCDTSHRMAPTTP53SMN1; SMN2
SCHEMBL14047625 0.72 SCD (0.57) SCDTSHRMAPTTP53SMN1; SMN2
SCHEMBL14047421 0.70 SCD (0.59) SCDTSHRTP53SMN1; SMN2HDAC1
SCHEMBL14047637 0.66 SCD (0.43) SCDLMNAPOLBHDAC1RAB9A
SCHEMBL14047409 0.66 SCD (0.47) SCDTSHRKDM4ELMNAPOLB
SCHEMBL14047404 0.66 SCD (0.47) SCDTSHRKDM4ELMNAPOLB
SCHEMBL14047539 0.66 SCD (0.53) SCDKDM4EPOLBHDAC1CACNA1G
SCHEMBL14047544 0.65 SCD (0.59) SCDSMN1; 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
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