SCHEMBL8680582

SCHEMBL8680582

CC1=Cc2cccc(Cl)c2OC12C=Cc1c(ccc3cc([N+](=O)[O-])ccc13)O2

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
C1R P00736 1/20 0.32
P2RY6 Q15077 1/20 0.32
HSP90AA1 P07900 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
RORC P51449 1/20 0.31
PDE7A Q13946 2/20 0.30
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 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
SCHEMBL8681160 0.88 HTT (0.34) MEN1KMT2A
SCHEMBL8685185 0.85 DRD5 (0.34) P2RY6HSP90AA1CRHBPCRHR2MEN1
SCHEMBL8680536 0.84 ALDH1A1 (0.36) HSP90AA1CRHBPCRHR2MEN1POLB
SCHEMBL8681149 0.81 TLR2 (0.36) P2RY6HSP90AA1CRHBPCRHR2MEN1
SCHEMBL8680680 0.81 P2RY6 (0.34) P2RY6HSP90AA1CRHBPCRHR2MEN1
SCHEMBL8685205 0.80 HTT (0.34) MEN1POLBKMT2A
SCHEMBL8680029 0.80 MEN1 (0.33) C1RHSP90AA1CRHBPCRHR2PDE7A
SCHEMBL8679986 0.80 HTT (0.40) MEN1GAAKMT2A
SCHEMBL8681788 0.80 HTT (0.33) MEN1POLBKMT2A
SCHEMBL8682619 0.78 HIF1A (0.33) MEN1POLBKMT2A

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