SCHEMBL8680236

SCHEMBL8680236

CC1=Cc2cc([N+](=O)[O-])ccc2OC12C(C)c1cc(-c3ccccc3)cc(-c3ccccc3)c1N2C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 1/20 0.35
KMT2A Q03164 5/20 0.33
MEN1 O00255 3/20 0.33
GFER P55789 1/20 0.33
PTGS2 P35354 2/20 0.33
CYP19A1 P11511 1/20 0.33
CFTR P13569 1/20 0.32
LMNA P02545 3/20 0.32
MAPT P10636 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
F2R P25116 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
F2RL3 Q96RI0 1/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
HTT P42858 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
APOBEC3A P31941 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
SCHEMBL21582641 0.75 MAPT (0.35) KMT2AMEN1GFERLMNAMAPT
SCHEMBL8680042 0.72 CHRM2 (0.35) KMT2AMEN1GFERMAPTL3MBTL1
SCHEMBL8684959 0.71 L3MBTL1 (0.39) KMT2AMEN1GFERPTGS2CYP19A1
SCHEMBL8680027 0.69 MEN1 (0.55) HPRT1KMT2AMEN1GFERPTGS2
SCHEMBL8680280 0.67 SMN1; SMN2 (0.45) KMT2AMEN1GFERLMNAMAPT
SCHEMBL9151094 0.67 TSHR (0.43) KMT2AMEN1GFERLMNAMAPT
SCHEMBL8680198 0.67 L3MBTL1 (0.42) KMT2AMEN1GFERMAPTL3MBTL1
SCHEMBL2535787 0.67 MEN1 (0.41) KMT2AMEN1GFERMAPTL3MBTL1
SCHEMBL8680120 0.65 MEN1 (0.55) HPRT1KMT2AMEN1GFERPTGS2
SCHEMBL8680220 0.65 MAPT (0.43) KMT2AMEN1CYP19A1MAPTL3MBTL1

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
US-5759729-A A DRY TONER COMPRISING A RESIN, PHOTOCHROMATIC SPIROPYRAN, -OXAZINE OR -THIOPYRAN DYE AND A CHARGE CONTROL AGENT;ELECTROGRAPHY; XEROGRAPHY XEROX CORPORATION (US) 1998-06-02 US claimed