SCHEMBL8661052

SCHEMBL8661052

C1=c2ccc3ccccc3c2=CCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.46
ALDH1A1 P00352 5/20 0.46
HSD17B10 Q99714 4/20 0.46
TSHR P16473 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
HPRT1 P00492 1/20 0.42
HIF1A Q16665 1/20 0.39
CYP1B1 Q16678 1/20 0.39
CYP1A2 P05177 4/20 0.38
PTPN22 Q9Y2R2 1/20 0.35
PAX8 Q06710 1/20 0.35
HPGD P15428 2/20 0.34
THRB P10828 1/20 0.34
CYP3A4 P08684 2/20 0.33
MAPT P10636 2/20 0.33
KEAP1 Q14145 1/20 0.33
LMNA P02545 1/20 0.33
APEX1 P27695 1/20 0.33
MAPK1 P28482 1/20 0.33
PMP22 Q01453 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
SCHEMBL24088109 0.77 HPRT1 (0.35) CYP2A6ALDH1A1HSD17B10TSHRTDP1
SCHEMBL22416784 0.75 MAPT (0.47) CYP2A6ALDH1A1HSD17B10TSHRTDP1
SCHEMBL19033400 0.75 ALDH1A1 (0.31) CYP2A6ALDH1A1HSD17B10TSHRTDP1
SCHEMBL8891087 0.72 HSD17B10 (0.39) CYP2A6ALDH1A1HSD17B10TSHRTDP1
SCHEMBL3287319 0.71 PAX8 (0.38) CYP2A6ALDH1A1HSD17B10TSHRTDP1
SCHEMBL22129919 0.70 CYP2A6 (0.52) CYP2A6ALDH1A1HSD17B10TSHRTDP1
Hydrochloric Acid SCHEMBL25188851 0.70 PAX8 (0.37) CYP2A6ALDH1A1HSD17B10TSHRTDP1
SCHEMBL23280686 0.70 ALDH1A1 (0.37) CYP2A6ALDH1A1HSD17B10TSHRTDP1
SCHEMBL18810806 0.69
SCHEMBL8661137 0.68 HPRT1 (0.36) CYP2A6ALDH1A1HSD17B10TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1247528-C Novel tricyclic compounds, preparation method and pharmaceutical compositions containing same SIRVIR LAB (FR) 2006-03-29 CN claimed
CN-1285817-A Novel tricyclic compounds, preparation method and pharmaceutical compositions containing same ADIR (FR) 2001-02-28 CN claimed
CN-108863957-A Quinoxaline-fused dibenzocycloheptane spiro-ene compound and organic light emitting diode element 杰秀有限公司 2018-11-23 CN disclosed
CN-1247528-C Novel tricyclic compounds, preparation method and pharmaceutical compositions containing same SIRVIR LAB (FR) 2006-03-29 CN disclosed
CN-1285817-A Novel tricyclic compounds, preparation method and pharmaceutical compositions containing same ADIR (FR) 2001-02-28 CN disclosed
US-5808154-A Process for the production of an aromatic hydrazo compound TOYO INK MANUFACTURING CO., LTD. (JP) 1998-09-15 US disclosed
EP-0391606-B1 Process for the production of an aromatic hydrazo compound TOYO INK MFG CO (JP) 1995-07-05 EP disclosed
EP-0391606-A1 Process for the production of an aromatic hydrazo compound TOYO INK MANUFACTURING CO., LTD. (JP) 1990-10-10 EP disclosed