SCHEMBL18181924

SCHEMBL18181924

CCOC(=O)CCc1c(NS(=O)(=O)c2cccs2)cc(C)c(C)c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.47
CNKSR1 Q969H4 5/20 0.46
AKT1 P31749 2/20 0.46
ALDH1A1 P00352 6/20 0.45
HIF1A Q16665 1/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PLK1 P53350 1/20 0.42
LMNA P02545 2/20 0.41
HPGD P15428 1/20 0.41
TNF P01375 1/20 0.41
MAPK1 P28482 1/20 0.41
NOD2 Q9HC29 1/20 0.41
NOD1 Q9Y239 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 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
SCHEMBL18148074 0.83 CNKSR1 (0.60) TP53CNKSR1AKT1ALDH1A1HIF1A
SCHEMBL18147978 0.82 ALDH1A1 (0.42) TP53CNKSR1AKT1ALDH1A1HIF1A
SCHEMBL17211658 0.75 CNKSR1 (0.60) CNKSR1AKT1ALDH1A1HIF1AMEN1
SCHEMBL15888942 0.75 CNKSR1 (0.65) TP53CNKSR1AKT1ALDH1A1HIF1A
SCHEMBL10058097 0.74 BRAF (0.56) CNKSR1AKT1ALDH1A1MEN1KMT2A
SCHEMBL15811516 0.72 CNKSR1 (0.67) CNKSR1AKT1ALDH1A1HIF1AMEN1
SCHEMBL15811503 0.71 CNKSR1 (0.62) CNKSR1AKT1ALDH1A1HIF1AMEN1
SCHEMBL2354908 0.71 MEN1 (0.53) TP53CNKSR1AKT1ALDH1A1HIF1A
SCHEMBL7572736 0.71 TP53 (0.59) TP53ALDH1A1KMT2AHPGDTSHR
SCHEMBL1653275 0.71 HIF1A (0.51) TP53CNKSR1AKT1ALDH1A1HIF1A

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-2016172191-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR INHIBITING CNKSR1 PHUSIS THERAPEUTICS, INC. (US) 2016-10-27 WO disclosed