SCHEMBL17844240

SCHEMBL17844240

CC(C)(C)n1sc(-c2ccccc2)c(NC2CCN(c3ccc(F)cn3)CC2)c1=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.39
GPR119 Q8TDV5 1/20 0.38
CKS1B P61024 4/20 0.38
SKP1 P63208 4/20 0.38
SKP2 Q13309 4/20 0.38
HRH3 Q9Y5N1 2/20 0.38
KCNH2 Q12809 1/20 0.37
MCHR1 Q99705 1/20 0.37
MTOR P42345 1/20 0.36
RPTOR Q8N122 1/20 0.36
MLST8 Q9BVC4 1/20 0.36
SMO Q99835 1/20 0.35
TDO2 P48775 1/20 0.35
LCAT P04180 1/20 0.35
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
RET P07949 2/20 0.34
GRM5 P41594 1/20 0.33

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
SCHEMBL17844219 0.90 CKS1B (0.38) GPR119CKS1BSKP1SKP2HRH3
SCHEMBL17844177 0.89 JAK2 (0.46) GPR119SMOJAK2JAK3
SCHEMBL5260026 0.89 GPR119 (0.38) GPR119CKS1BSKP1SKP2KCNH2
SCHEMBL17844250 0.87 KAT2B (0.41) GPR119CKS1BSKP1SKP2HRH3
SCHEMBL3546550 0.82 LMNA (0.42) CKS1BSKP1SKP2LCAT
SCHEMBL17844145 0.81 HRH3 (0.38) CKS1BSKP1SKP2HRH3LCAT
SCHEMBL17844172 0.81 GLS (0.43) KCNH2
SCHEMBL17844162 0.81 HRH3 (0.41) CHRM4HRH3KCNH2LCAT
SCHEMBL17844164 0.80 KAT2B (0.38)
SCHEMBL5316660 0.77 METAP1 (0.49) CHRM4

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-2016100619-A2 TREATMENT AND DIAGNOSIS OF CANCER RGENIX, INC. (US) 2016-06-23 WO disclosed