SCHEMBL17844179

SCHEMBL17844179

CC(C)(C)n1sc(-c2ccccc2)c(NC2CCN(C(=O)c3ccccc3)CC2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
EPHX1 P07099 1/20 0.47
LMNA P02545 2/20 0.45
ACHE P22303 1/20 0.44
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
FASN P49327 1/20 0.42
JAK1 P23458 1/20 0.41
POLB P06746 2/20 0.40
EPHX2 P34913 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
ACACB O00763 1/20 0.40
ACACA Q13085 1/20 0.40

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) JAK1POLBPTPN1
SCHEMBL17844153 0.87 MAPK8 (0.41) MEN1KMT2AALDH1A1JAK1POLB
SCHEMBL5264811 0.86 MMP2 (0.39) MEN1KMT2ALMNANOS3NOS1
SCHEMBL17844211 0.85 L3MBTL1 (0.45) MEN1KMT2AALDH1A1POLB
SCHEMBL17844164 0.85 KAT2B (0.38) POLB
SCHEMBL17844268 0.83 POLB (0.47) KMT2ALMNANOS3NOS1NOS2
SCHEMBL17844219 0.75 CKS1B (0.38)
SCHEMBL5260026 0.75 GPR119 (0.38)
SCHEMBL17844177 0.73 JAK2 (0.46) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL17844131 0.71 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