SCHEMBL2453757

SCHEMBL2453757

COC(=O)c1ccccc1Oc1c(F)c(C#N)c(C#N)c(F)c1Oc1ccccc1C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.48
SLC6A4 P31645 1/20 0.48
CYP1A2 P05177 3/20 0.47
CYP2D6 P10635 3/20 0.47
CYP2C19 P33261 3/20 0.47
CYP2C9 P11712 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 5/20 0.42
TSHR P16473 3/20 0.41
LMNA P02545 2/20 0.41
HSD17B10 Q99714 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HTT P42858 1/20 0.41
CFTR P13569 1/20 0.41
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL2457169 0.85 ALDH1A1 (0.53) CYP1A2CYP2D6CYP2C19CYP2C9TDP1
SCHEMBL3891331 0.82 TSHR (0.56) CYP1A2CYP2D6CYP2C19CYP2C9TDP1
SCHEMBL27622965 0.78 SMN1; SMN2 (0.48) SLC6A3SLC6A4KMT2AMEN1SMN1; SMN2
SCHEMBL2441955 0.77 SLC6A3 (0.65) SLC6A3SLC6A4KMT2AMEN1SMN1; SMN2
SCHEMBL2455430 0.76 USP2 (0.43) CYP1A2CYP2C19CYP2C9KMT2AALDH1A1
SCHEMBL2454805 0.75 USP2 (0.42) CYP1A2CYP2C19CYP2C9TDP1KMT2A
SCHEMBL30740803 0.75 CYP11B1 (0.49) SLC6A3SLC6A4KMT2AMEN1SMN1; SMN2
SCHEMBL28829627 0.74 SLC6A3 (0.57) SLC6A3SLC6A4CYP1A2CYP2D6CYP2C19
SCHEMBL2458686 0.74 PKLR (0.47) SLC6A3SLC6A4CYP1A2CYP2C19CYP2C9
SCHEMBL15880286 0.73 SLC6A3 (0.49) SLC6A3SLC6A4CYP1A2CYP2D6CYP2C19

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
EP-1577350-B1 Method for production of halogen-containing phthalocyanine compound NIPPON CATALYTIC CHEM IND (JP) 2011-09-14 EP disclosed
US-7473777-B2 Method for production of halogen-containing phthalocyanine compound NIPPON SHOKUBAI CO., LTD. (JP) 2009-01-06 US disclosed
EP-1577350-A1 Method for production of halogen-containing phthalocyanine compound Nippon Shokubai Co., Ltd. (JP) 2005-09-21 EP disclosed
US-20050203293-A1 Method for production of halogen-containing phthalocyanine compound NIPPON SHOKUBAI CO., LTD. (JP) 2005-09-15 US disclosed