SCHEMBL7870053

SCHEMBL7870053

CCOC(=O)c1cccc(C#N)c1C#N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
KDM4E B2RXH2 9/20 0.52
HSD17B10 Q99714 4/20 0.52
GLA P06280 1/20 0.50
ATM Q13315 1/20 0.50
ALDH1A1 P00352 10/20 0.49
GAA P10253 4/20 0.49
MAPT P10636 3/20 0.49
KMT2A Q03164 2/20 0.49
TP53 P04637 1/20 0.49
ALOX15 P16050 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
MEN1 O00255 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
L3MBTL1 Q9Y468 6/20 0.47
TDP1 Q9NUW8 3/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
CDC25B P30305 1/20 0.46
BRAF P15056 1/20 0.45

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
SCHEMBL9236279 0.90 TSHR (0.63) TSHRKDM4EHSD17B10GLAATM
SCHEMBL22889869 0.86 TSHR (0.58) TSHRKDM4EHSD17B10GLAATM
SCHEMBL120324 0.85 TSHR (0.67) TSHRKDM4EHSD17B10ALDH1A1GAA
SCHEMBL27622765 0.85 TSHR (0.50) TSHRKDM4EHSD17B10GLAATM
SCHEMBL27604051 0.84 GAA (0.62) TSHRKDM4EALDH1A1GAAMAPT
SCHEMBL22889867 0.83 TSHR (0.54) TSHRKDM4EHSD17B10GLAATM
SCHEMBL21072415 0.83 ALDH1A1 (0.55) TSHRKDM4EHSD17B10ALDH1A1GAA
SCHEMBL17111962 0.83 TSHR (0.54) TSHRKDM4EHSD17B10ALDH1A1GAA
SCHEMBL109089 0.83 TSHR (0.54) TSHRKDM4EHSD17B10GLAATM
SCHEMBL11785897 0.82 TSHR (0.53) TSHRKDM4EHSD17B10ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882768-B1 Method for producing of phthalocyanine compound NIPPON CATALYTIC CHEM IND (JP) 2001-12-19 EP disclosed
US-6034236-A REACTING A PHTHALONITRILE WITH A METAL OXIDE IN PRESENCE OF A SULFONIC ACID CATALYST NIPPON SHOKUBAI CO., LTD. (JP) 2000-03-07 US disclosed
EP-0882768-A2 Method for producing of phthalocyanine compound NIPPON SHOKUBAI CO., LTD. (JP) 1998-12-09 EP disclosed