SCHEMBL8682148

SCHEMBL8682148

COc1ccc(C2=C(c3ccccc3)Oc3ccccc3C23C=Cc2c(ccc4cc([N+](=O)[O-])ccc24)O3)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.37
MAPT P10636 6/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MAOB P27338 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.34
HNF4A P41235 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
MEN1 O00255 6/20 0.33
KMT2A Q03164 6/20 0.33
ABCG2 Q9UNQ0 3/20 0.33
GAA P10253 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 1/20 0.33
PKM P14618 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 1/20 0.33
NFKB1 P19838 1/20 0.33

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
SCHEMBL8680380 0.93 MAOB (0.38) XDHMAPTNPC1RAB9AALDH1A1
SCHEMBL8680148 0.93 NPC1 (0.33) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL619662 0.85 MAOB (0.38) XDHMAPTNPC1RAB9AALDH1A1
SCHEMBL8685248 0.81 MEN1 (0.39) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL8685140 0.79 HTT (0.36) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL8862663 0.74 SMN1; SMN2 (0.36) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL2127986 0.72 PIN1 (0.34) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL8682681 0.71 HTT (0.37) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL8680336 0.71 SMN1; SMN2 (0.36) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL8680564 0.70 MEN1 (0.36) MAPTNPC1RAB9AALDH1A1MAOB

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 5 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-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