SCHEMBL17844177

SCHEMBL17844177

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.46
JAK3 P52333 1/20 0.46
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ABL1 P00519 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CCR6 P51684 1/20 0.42
TRPV1 Q8NER1 2/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD11B1 P28845 1/20 0.42

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
SCHEMBL17844240 0.89 CHRM4 (0.39) JAK2JAK3GPR119SMO
SCHEMBL17844219 0.88 CKS1B (0.38) GPR119SMO
SCHEMBL5260026 0.87 GPR119 (0.38) GPR119SMO
SCHEMBL17844162 0.87 HRH3 (0.41) MAPTKDM4EL3MBTL1ALDH1A1
SCHEMBL17844250 0.85 KAT2B (0.41) LMNAMAPTHTTKDM4EL3MBTL1
SCHEMBL5316660 0.84 METAP1 (0.49) LMNAMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL3546550 0.81 LMNA (0.42) LMNAHTTSMN1; SMN2KDM4ETRPV1
SCHEMBL17844145 0.80 HRH3 (0.38) MAPTSMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL17844172 0.80 GLS (0.43) TRPV1
SCHEMBL17844164 0.78 KAT2B (0.38) POLB

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