SCHEMBL17844153

SCHEMBL17844153

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
MAPK10 P53779 1/20 0.41
JAK1 P23458 1/20 0.39
EPHX2 P34913 4/20 0.39
NAMPT P43490 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TACR2 P21452 1/20 0.35
TACR3 P29371 1/20 0.35
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TGM2 P21980 1/20 0.35
CACNA1B Q00975 1/20 0.34
CHRM3 P20309 1/20 0.34

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
SCHEMBL17844237 0.89 PTPN1 (0.41) JAK1MAPTMAPK1POLBHSD17B10
SCHEMBL17844179 0.87 MEN1 (0.47) JAK1EPHX2MEN1KMT2AALDH1A1
SCHEMBL17844211 0.84 L3MBTL1 (0.45) MEN1KMT2ATACR3ALDH1A1L3MBTL1
SCHEMBL17844164 0.84 KAT2B (0.38) MAPK9MAPK1POLB
SCHEMBL17844268 0.79 POLB (0.47) KMT2AMAPTALDH1A1RAB9APOLB
SCHEMBL17844250 0.77 KAT2B (0.41) MAPTNPC1ALDH1A1MAPK1HTT
SCHEMBL17844219 0.75 CKS1B (0.38)
SCHEMBL17844177 0.74 JAK2 (0.46) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL5260026 0.74 GPR119 (0.38)
SCHEMBL17844240 0.74 CHRM4 (0.39)

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