SCHEMBL8680370

SCHEMBL8680370

O=[N+]([O-])c1ccc2c3c(ccc2c1)OC1(C=C3)Oc2ccc(Br)cc2C=C1c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
GABRA4 P48169 1/20 0.32
GABRE P78334 1/20 0.32
GABRA6 Q16445 1/20 0.32
GABRG1 Q8N1C3 1/20 0.32
GABRG3 Q99928 1/20 0.32
GABRQ Q9UN88 1/20 0.32
P2RY6 Q15077 1/20 0.32
CYP19A1 P11511 2/20 0.32
MAPT P10636 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
SCHEMBL8685169 0.91 CYP19A1 (0.34) CYP19A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8682348 0.89 KMT2A (0.34) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8680293 0.89 CYP19A1 (0.36) CYP19A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8680987 0.86 NPSR1 (0.41) NPSR1GABRPGABRDGABRA1GABRB1
SCHEMBL8682558 0.86 PTGS1 (0.39) CYP19A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8680680 0.85 P2RY6 (0.34) NPSR1P2RY6KMT2AMEN1ALDH1A1
SCHEMBL8679967 0.83 KDM4E (0.33) NPSR1MAPTNPC1SMN1; SMN2KMT2A
SCHEMBL8682553 0.81 MEN1 (0.36) MAPTNPC1SMN1; SMN2KMT2AMEN1
SCHEMBL8678205 0.79 MEN1 (0.35) NPSR1GABRA1GABRG2GABRB3GABRA5
SCHEMBL8680564 0.78 MEN1 (0.36) NPSR1MAPTNPC1RAB9ASMN1; 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 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