SCHEMBL27488661

SCHEMBL27488661

COc1cccc2c1C(C(=O)Oc1c(F)ccc(F)c1F)c1ccccc1N2C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 1/20 0.38
NR1H2 P55055 3/20 0.36
HSD11B1 P28845 1/20 0.35
HTT P42858 3/20 0.35
HSD17B10 Q99714 1/20 0.35
TSHR P16473 2/20 0.34
PIN1 Q13526 1/20 0.34
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
HPGD P15428 1/20 0.33
NR1H3 Q13133 1/20 0.33
EGFR P00533 1/20 0.33
SRC P12931 1/20 0.33

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
SCHEMBL27550646 0.92 KMT2A (0.40) KMT2ANR1H2LMNAKDM4EHPGD
SCHEMBL7592395 0.90 TAS1R3 (0.34) KMT2AMEN1MAPTHTTLMNA
SCHEMBL8688713 0.89 KMT2A (0.36) HDAC4HDAC7HDAC5KMT2AMEN1
SCHEMBL7588820 0.88 HDAC4 (0.40) HDAC4HDAC7HDAC5KMT2AMEN1
SCHEMBL29382936 0.87 HDAC4 (0.48) HDAC4HDAC7HDAC5KMT2AMEN1
SCHEMBL3859311 0.87 HDAC4 (0.48) HDAC4HDAC7HDAC5KMT2AMEN1
SCHEMBL7591257 0.87 HDAC4 (0.40) HDAC4HDAC7HDAC5KMT2AMEN1
SCHEMBL6587836 0.85 DRD2 (0.36) HDAC4HDAC7HDAC5KMT2AMEN1
SCHEMBL914119 0.84 HDAC4 (0.39) HDAC4HDAC7HDAC5KMT2AMEN1
SCHEMBL7796551 0.83 HDAC4 (0.32) HDAC4HDAC7HDAC5KMT2AMEN1

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
CN-1161083-A Novel method and kits for producing light from 9,10-azetine compound LUMIGEN INC (US) 1997-10-01 CN claimed