SCHEMBL8680359

SCHEMBL8680359

COc1ccc2c(c1)OC1(C=C2)C=Cc2ccccc2N1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.47
MAPT P10636 7/20 0.42
GAA P10253 4/20 0.42
LMNA P02545 4/20 0.42
THRB P10828 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
RECQL P46063 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
PLIN1 O60240 1/20 0.42
PKM P14618 1/20 0.42
TSHR P16473 1/20 0.42
PLIN5 Q00G26 1/20 0.42
ABHD5 Q8WTS1 1/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
CA2 P00918 1/20 0.38
CA5A P35218 1/20 0.38
TRPA1 O75762 1/20 0.36

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
SCHEMBL8684880 0.90 MAPT (0.52) HTR2CMAPTGAALMNATHRB
SCHEMBL8685192 0.82 HTR2C (0.41) HTR2CMAPTGAALMNATHRB
SCHEMBL8680159 0.76 MAPT (0.61) HTR2CMAPTGAALMNATHRB
SCHEMBL8680944 0.76 HTR2C (0.44) HTR2CMAPTGAALMNATHRB
SCHEMBL8680421 0.75 HTR2C (0.48) HTR2CMAPTGAALMNATHRB
SCHEMBL8680171 0.74 NPSR1 (0.46) HTR2CMAPTGAALMNATHRB
Prococene I SCHEMBL29794343 0.71 HTR2C (0.58) HTR2CMAPTLMNASMN1; SMN2TDP1
Prococene I SCHEMBL118080 0.71 HTR2C (0.58) HTR2CMAPTLMNASMN1; SMN2TDP1
SCHEMBL8688282 0.70 MEN1 (0.47) MAPTGAALMNARECQLTDP1
SCHEMBL8680311 0.69 SMN1; SMN2 (0.44) MAPTGAALMNATHRBSMN1; 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 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