SCHEMBL8685185

SCHEMBL8685185

CC1=Cc2cc(Cl)ccc2OC12C=Cc1c(ccc3cc([N+](=O)[O-])ccc13)O2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD5 P21918 1/20 0.34
DRD3 P35462 1/20 0.34
P2RY6 Q15077 1/20 0.34
HSP90AA1 P07900 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
HIF1A Q16665 2/20 0.32
EPAS1 Q99814 2/20 0.32
MEN1 O00255 4/20 0.31
KMT2A Q03164 4/20 0.31
NPBWR1 P48145 1/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GFER P55789 1/20 0.31
APEX1 P27695 1/20 0.31
ALDH1A1 P00352 2/20 0.31
TDP1 Q9NUW8 2/20 0.31

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
SCHEMBL8680680 0.88 P2RY6 (0.34) P2RY6HSP90AA1CRHBPCRHR2HIF1A
SCHEMBL8681149 0.88 TLR2 (0.36) P2RY6HSP90AA1CRHBPCRHR2HIF1A
SCHEMBL8680536 0.88 ALDH1A1 (0.36) HSP90AA1CRHBPCRHR2HIF1AEPAS1
SCHEMBL8680582 0.85 C1R (0.32) P2RY6HSP90AA1CRHBPCRHR2MEN1
SCHEMBL8682348 0.85 KMT2A (0.34) DRD5DRD3P2RY6MEN1KMT2A
SCHEMBL8679986 0.85 HTT (0.40) HIF1AEPAS1MEN1KMT2ANPC1
SCHEMBL8680611 0.81 KDM4E (0.40) MEN1KMT2ANPC1KDM4EHTT
SCHEMBL8680029 0.81 MEN1 (0.33) HSP90AA1CRHBPCRHR2MEN1KMT2A
SCHEMBL8682619 0.81 HIF1A (0.33) HIF1AEPAS1MEN1KMT2APOLB
SCHEMBL8681160 0.80 HTT (0.34) HIF1AMEN1KMT2AHTTSMN1; SMN2

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 6 patents. 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
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 disclosed
US-5710420-A Method for embedding and recovering machine-readable information XEROX CORPORATION (US) 1998-01-20 US disclosed
US-5633109-A Ink compositions with liposomes containing photochromic compounds XEROX CORPORATION (US) 1997-05-27 US disclosed
US-5593486-A Photochromic hot melt ink compositions XEROX CORPORATION (US) 1997-01-14 US disclosed
US-5551973-A LIQUID CRYSTAL GEL PHASE, MICROEMULSION PHASE XEROX CORPORATION (US) 1996-09-03 US disclosed