SCHEMBL13895694

SCHEMBL13895694

CC(C)c1ccc2cc(C(N)=O)n(C)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.42
MCL1 Q07820 2/20 0.41
PHGDH O43175 5/20 0.40
TP53 P04637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
GPR35 Q9HC97 1/20 0.38
EIF4A3 P38919 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
TYR P14679 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 1/20 0.35
GAA P10253 1/20 0.35
ALOX12 P18054 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL12894673 0.88 KDM4E (0.45) SLC9A1MCL1PHGDHRXFP1JAK2
SCHEMBL30547733 0.88 KDM4E (0.45) SLC9A1MCL1PHGDHRXFP1JAK2
SCHEMBL13895693 0.86 MCL1 (0.58) MCL1PHGDHTP53RXFP1GPR35
SCHEMBL13889409 0.86 MCL1 (0.42) SLC9A1MCL1PHGDHTP53RXFP1
SCHEMBL16480591 0.79 PLA2G10 (0.48) SLC9A1MCL1TP53RXFP1GPR35
SCHEMBL2323444 0.75 MCL1 (0.71) SLC9A1MCL1PHGDHMAPT
Hydrochloric Acid SCHEMBL28264080 0.73 MCL1 (0.69) SLC9A1MCL1MAPT
SCHEMBL9613270 0.73 HSD17B10 (0.62) MCL1PHGDHGPR35ALDH1A1KDM4E
SCHEMBL13881405 0.73 KDM4E (0.46) MCL1PHGDHTP53RXFP1GPR35
SCHEMBL30790917 0.73 HSD17B10 (0.62) MCL1PHGDHGPR35ALDH1A1KDM4E

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-2012155066-A2 SPIRO-OXINDOLE MDM2 ANTAGONISTS WANG SHAOMENG (US) 2012-11-15 WO disclosed