SCHEMBL8679986

SCHEMBL8679986

CC1=Cc2cc([N+](=O)[O-])ccc2OC12C=Cc1c(ccc3ccccc13)O2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
MAPT P10636 4/20 0.39
NPC1 O15118 3/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 2/20 0.39
GLA P06280 1/20 0.39
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
HNF4A P41235 2/20 0.34
TSHR P16473 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
RAB9A P51151 2/20 0.34

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
SCHEMBL8680500 0.86 SMN1; SMN2 (0.36) HTTSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL8681149 0.85 TLR2 (0.36) HTTSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL8680680 0.85 P2RY6 (0.34) MEN1KMT2AALDH1A1TSHRCA12
SCHEMBL8685185 0.85 DRD5 (0.34) HTTSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL8680536 0.84 ALDH1A1 (0.36) HTTSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL8682159 0.83 MEN1 (0.41) HTTMEN1KMT2AMAPTALDH1A1
SCHEMBL8681108 0.83 SMN1; SMN2 (0.36) HTTSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL8680629 0.82 MEN1 (0.46) HTTSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL8680611 0.81 KDM4E (0.40) HTTSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL8680582 0.80 C1R (0.32) MEN1KMT2AGAA

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