SCHEMBL28119199

SCHEMBL28119199

O=C1Nc2ccc(Nc3cccc(C(F)(F)F)c3)cc2C1(O)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 9/20 0.50
ATM Q13315 1/20 0.43
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
MPO P05164 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
YAP1 P46937 1/20 0.42
TEAD4 Q15561 1/20 0.42
TEAD2 Q15562 1/20 0.42
RXFP1 Q9HBX9 2/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
IDH2 P48735 1/20 0.41

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
SCHEMBL28118833 0.83 ATM (0.47) ATMMEN1MAPTKMT2AHTT
SCHEMBL28118828 0.82 KIF11 (0.48) KIF11AKR1C3AKR1C2YAP1TEAD4
SCHEMBL28119235 0.82 KIF11 (0.48) KIF11MEN1MAPTKMT2AAKR1C3
SCHEMBL28118830 0.81 KIF11 (0.47) KIF11MEN1MAPTKMT2AAKR1C3
SCHEMBL28119211 0.81 IDO1 (0.47) ATM
SCHEMBL15426102 0.71 TP53 (0.67) ATMMEN1MAPTKMT2A
SCHEMBL17166881 0.71 ATM (0.55) ATMMAPTHTT
SCHEMBL12165522 0.70 ATM (0.77) ATMMEN1MAPTKMT2AHTT
SCHEMBL7347670 0.69 IDH2 (0.77) KIF11MEN1MAPTKMT2AAKR1C3
SCHEMBL30575363 0.69 IDH2 (0.77) KIF11MEN1MAPTKMT2AAKR1C3

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-106316923-A Disubstituted indol-2(1H)-one derivative and preparation method and application thereof 中南大学 2017-01-11 CN claimed
CN-106316923-A Disubstituted indol-2(1H)-one derivative and preparation method and application thereof 中南大学 2017-01-11 CN disclosed