SCHEMBL17844145

SCHEMBL17844145

COc1ccc(N2CCC(Nc3c(-c4ccccc4)sn(C(C)(C)C)c3=O)CC2)nn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.38
GLS O94925 12/20 0.36
LCAT P04180 1/20 0.36
CKS1B P61024 2/20 0.34
SKP1 P63208 2/20 0.34
SKP2 Q13309 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SLC6A2 P23975 1/20 0.32

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
SCHEMBL3546550 0.88 LMNA (0.42) GLSLCATCKS1BSKP1SKP2
SCHEMBL17844172 0.85 GLS (0.43) GLSSLC6A2TACR1OPRM1HTR2B
SCHEMBL17844250 0.83 KAT2B (0.41) HRH3CKS1BSKP1SKP2TP53
SCHEMBL17844219 0.82 CKS1B (0.38) HRH3LCATCKS1BSKP1SKP2
SCHEMBL5260026 0.81 GPR119 (0.38) LCATCKS1BSKP1SKP2
SCHEMBL17844240 0.81 CHRM4 (0.39) HRH3LCATCKS1BSKP1SKP2
SCHEMBL17844177 0.80 JAK2 (0.46) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL17844164 0.80 KAT2B (0.38)
SCHEMBL17844162 0.78 HRH3 (0.41) HRH3LCATKDM4EALDH1A1MAPT
SCHEMBL17844237 0.76 PTPN1 (0.41) TP53MAPTOPRM1

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