SCHEMBL1010125

SCHEMBL1010125

Cc1ccc(Sc2ccc(-c3ccc(C=O)cc3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.64
ALDH1A1 P00352 5/20 0.52
MAPT P10636 5/20 0.41
HPGD P15428 3/20 0.41
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PTK2B Q14289 1/20 0.41
NPSR1 Q6W5P4 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
HTT P42858 1/20 0.40
BRD4 O60885 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
HKDC1 Q2TB90 1/20 0.39
DRD1 P21728 1/20 0.39
MLYCD O95822 1/20 0.38

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
SCHEMBL6735568 0.94 CYP2A6 (0.73) CYP2A6ALDH1A1MAPTHPGDPOLB
Diphenylsulfane SCHEMBL28950400 0.91 CYP2A6 (0.57) CYP2A6ALDH1A1MAPTHPGDPOLB
SCHEMBL13177700 0.87 CYP2A6 (0.84) CYP2A6ALDH1A1MAPTHPGDPOLB
SCHEMBL260384 0.87 CYP2A6 (0.84) CYP2A6ALDH1A1MAPTHPGDPOLB
Hydrogen Sulfide SCHEMBL28999805 0.85 CYP2A6 (0.80) CYP2A6ALDH1A1MAPTHPGDPOLB
SCHEMBL3281147 0.82 MLYCD (0.48) MAPTHPGDPOLBSMN1; SMN2MEN1
SCHEMBL6853611 0.82 ALDH1A1 (0.64) CYP2A6ALDH1A1HPGDKDM4ERAB9A
SCHEMBL13707875 0.81 CYP2A6 (0.73) CYP2A6ALDH1A1MAPTHPGDPOLB
SCHEMBL1661927 0.80 DRD1 (0.55) CYP2A6ALDH1A1MAPTHPGDPOLB
SCHEMBL17508287 0.80 CYP2A6 (0.52) CYP2A6ALDH1A1MAPTHPGDNPSR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024020475-A1 PHOTOCURABLE HYDROGEL COMPOSITIONS TYMPANOGEN, INC. (US) 2024-01-25 WO disclosed
US-20110256222-A1 Recombinant Protein Enriched in a Heparin Binding Site and/or in a Heparan Sulfate Binding Site FUJIFILM MANUFACTURING EUROPE B.V. (NL) 2011-10-20 US disclosed
EP-2268663-A1 RECOMBINANT PROTEIN ENRICHED IN A HEPARIN BINDING SITE AND/OR A HEPARAN SULFATE BINDING SITE FUJIFILM Manufacturing Europe B.V. (NL) 2011-01-05 EP disclosed
WO-2009126031-A1 RECOMBINANT PROTEIN ENRICHED IN A HEPARIN BINDING SITE AND/OR A HEPARAN SULFATE BINDING SITE FUJIFILM MANUFACTURING EUROPE B.V. (NL) 2009-10-15 WO disclosed