SCHEMBL8680944

SCHEMBL8680944

COc1ccc2c(c1)OC1(C=C2)Sc2ccccc2N1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.44
MAPT P10636 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
LMNA P02545 4/20 0.39
GAA P10253 4/20 0.39
TDP1 Q9NUW8 4/20 0.39
THRB P10828 3/20 0.39
RECQL P46063 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PLIN1 O60240 1/20 0.39
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.39
PLIN5 Q00G26 1/20 0.39
ABHD5 Q8WTS1 1/20 0.39
CA2 P00918 1/20 0.38
CA5A P35218 1/20 0.38
KDM1A O60341 1/20 0.35
SCN9A Q15858 1/20 0.35
TRPA1 O75762 1/20 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
SCHEMBL8680608 0.82 HTR2C (0.36) HTR2CMAPTLMNAGAATDP1
SCHEMBL8684684 0.76 NPSR1 (0.42) HTR2CMAPTSMN1; SMN2LMNAGAA
SCHEMBL8680359 0.76 HTR2C (0.47) HTR2CMAPTSMN1; SMN2LMNAGAA
SCHEMBL8680646 0.73 MEN1 (0.44) MAPTSMN1; SMN2LMNAGAATDP1
SCHEMBL8680159 0.72 MAPT (0.61) HTR2CMAPTSMN1; SMN2LMNAGAA
Prococene I SCHEMBL118080 0.68 HTR2C (0.58) HTR2CMAPTSMN1; SMN2LMNATDP1
Prococene I SCHEMBL29794343 0.68 HTR2C (0.58) HTR2CMAPTSMN1; SMN2LMNATDP1
SCHEMBL8684880 0.66 MAPT (0.52) HTR2CMAPTSMN1; SMN2LMNAGAA
SCHEMBL13005015 0.65 HTR2C (0.70) HTR2CKMT2ACA2CA5A
SCHEMBL8680421 0.64 HTR2C (0.48) HTR2CMAPTSMN1; SMN2LMNAGAA

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