SCHEMBL27840752

SCHEMBL27840752

NCC(C=O)c1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MPL P40238 2/20 0.36
RPS6KB1 P23443 3/20 0.36
AKT1 P31749 5/20 0.34
EPHX1 P07099 1/20 0.34
AR P10275 4/20 0.33
KMO O15229 2/20 0.33
KIF11 P52732 1/20 0.33
AURKB Q96GD4 1/20 0.33
INCENP Q9NQS7 1/20 0.33
SCN8A Q9UQD0 1/20 0.33
VNN1 O95497 1/20 0.33
NR3C2 P08235 1/20 0.33
HDAC8 Q9BY41 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
SCHEMBL27821736 0.84 KMO (0.33) MPLAKT1EPHX1ARKMO
SCHEMBL2338758 0.79 EPHX1 (0.36) MPLAKT1EPHX1ARKMO
Hydrochloric Acid SCHEMBL2349140 0.78 EPHX1 (0.35) MPLAKT1EPHX1ARKMO
SCHEMBL27664128 0.76 AKR1C3 (0.39) ARKIF11SCN8AHDAC8
SCHEMBL2339031 0.76 KIF11 (0.36) MPLARKMOKIF11SCN8A
SCHEMBL16464213 0.76 PNMT (0.54) RPS6KB1
SCHEMBL20551738 0.76 KIF11 (0.36) MPLARKMOKIF11SCN8A
SCHEMBL7020637 0.76 KMO (0.38) AKT1ARKMOKIF11SCN8A
SCHEMBL27840751 0.75 AKR1C3 (0.44) AKT1EPHX1SCN8ANR3C2
SCHEMBL5463963 0.72 AR (0.34) EPHX1ARKIF11SCN8AVNN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102209538-A Combination therapy of P70S 6 kinase inhibitors and EGFR inhibitors LILLY CO ELI 2011-10-05 CN disclosed
CN-102209539-A Combination therapy of P70S 6 kinase inhibitors and MTOR inhibitors LILLY CO ELI 2011-10-05 CN disclosed