SCHEMBL8680680

SCHEMBL8680680

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

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 1/20 0.34
SNCA P37840 1/20 0.32
HIF1A Q16665 2/20 0.32
EPAS1 Q99814 2/20 0.32
HSP90AA1 P07900 1/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
GFER P55789 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL8681149 0.88 TLR2 (0.36) P2RY6HIF1AEPAS1HSP90AA1CRHBP
SCHEMBL8685185 0.88 DRD5 (0.34) P2RY6HIF1AEPAS1HSP90AA1CRHBP
SCHEMBL8680536 0.88 ALDH1A1 (0.36) HIF1AEPAS1HSP90AA1CRHBPCRHR2
SCHEMBL8681788 0.86 HTT (0.33) MEN1KMT2AALDH1A1TDP1
SCHEMBL8680370 0.85 NPSR1 (0.32) P2RY6HIF1AEPAS1MEN1KMT2A
SCHEMBL8679986 0.85 HTT (0.40) HIF1AEPAS1MEN1KMT2AALDH1A1
SCHEMBL8680582 0.81 C1R (0.32) P2RY6HSP90AA1CRHBPCRHR2MEN1
SCHEMBL8682619 0.81 HIF1A (0.33) HIF1AEPAS1MEN1KMT2AALDH1A1
SCHEMBL8681160 0.80 HTT (0.34) HIF1AMEN1KMT2AALDH1A1TDP1
SCHEMBL8680029 0.77 MEN1 (0.33) HSP90AA1CRHBPCRHR2MEN1KMT2A

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