SCHEMBL17844237

SCHEMBL17844237

CC(=O)N1CCC(Nc2c(-c3ccccc3)sn(C(C)(C)C)c2=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.41
HSD17B10 Q99714 2/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
NSD2 O96028 1/20 0.39
MAPT P10636 2/20 0.38
JAK1 P23458 2/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
OGFRL1 Q5TC84 1/20 0.38
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
BTK Q06187 1/20 0.36
PHGDH O43175 1/20 0.36
RORC P51449 1/20 0.36

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
SCHEMBL17844179 0.89 MEN1 (0.47) PTPN1JAK1POLB
SCHEMBL17844153 0.89 MAPK8 (0.41) HSD17B10MAPK1MAPTJAK1POLB
SCHEMBL17844211 0.87 L3MBTL1 (0.45) TP53POLB
SCHEMBL17844164 0.86 KAT2B (0.38) MAPK1NSD2KDM1APOLBIRAK1
SCHEMBL17844268 0.81 POLB (0.47) MAPTADORA1OPRM1POLB
SCHEMBL5264811 0.81 MMP2 (0.39)
SCHEMBL17844219 0.77 CKS1B (0.38)
SCHEMBL5260026 0.76 GPR119 (0.38)
SCHEMBL17844177 0.75 JAK2 (0.46) MAPTJAK2JAK3POLB
SCHEMBL17844131 0.73 DDB1 (0.32)

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