SCHEMBL1379147

SCHEMBL1379147

COC(=O)C(F)c1ccc2c(c1)[nH]c1ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.59
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
APOBEC3G Q9HC16 1/20 0.46
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.45
GABRP O00591 1/20 0.45
GABRD O14764 1/20 0.45
PDE5A O76074 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
PKM P14618 1/20 0.45
GABRA1 P14867 1/20 0.45
HPGD P15428 1/20 0.45
GABRB1 P18505 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45

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
SCHEMBL8189543 0.84 KIF11 (0.60) KIF11MEN1KMT2AAPOBEC3GMAPT
SCHEMBL22100414 0.76 KDM4E (0.50) KIF11MEN1KMT2AAPOBEC3GKDM4E
SCHEMBL6072669 0.75 KIF11 (0.59) KIF11MEN1KMT2AKDM4EALDH1A1
SCHEMBL12286224 0.74 KIF11 (0.66) KIF11MEN1KMT2AKDM4EALDH1A1
SCHEMBL29760781 0.74 PTGS2 (0.70) KIF11MEN1KMT2AMAPTGABRA1
SCHEMBL498758 0.74 PTGS2 (0.70) KIF11MEN1KMT2AMAPTGABRA1
SCHEMBL11467664 0.73 SLC6A3 (0.50) KMT2A
SCHEMBL11298149 0.73 KIF11 (0.60) KIF11MEN1KMT2AKDM4EALDH1A1
SCHEMBL24213214 0.72 KMT2A (0.46) KIF11MEN1KMT2AAPOBEC3GKDM4E
SCHEMBL10892550 0.72 KIF11 (1.00) KIF11KDM4EALDH1A1MAPTHSD17B10

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
JP-4705630-B2 2011-06-22 JP claimed