SCHEMBL7106499

SCHEMBL7106499

N#Cc1c(F)c(F)c(Oc2ccccc2)c(F)c1C#N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA13 Q8N1Q1 1/20 0.49
KMT2A Q03164 7/20 0.41
MEN1 O00255 6/20 0.41
ALDH1A1 P00352 4/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2C9 P11712 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
POLB P06746 2/20 0.41
HSP90AA1 P07900 1/20 0.41
LTA4H P09960 1/20 0.39
TSHR P16473 1/20 0.39
HPGD P15428 3/20 0.39
KDM4E B2RXH2 4/20 0.37

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
SCHEMBL3194044 0.94 CA12 (0.50) CA12CA1CA2CA7CA13
SCHEMBL7103435 0.92 KMT2A (0.44) CA12CA1CA2CA7CA13
SCHEMBL23417739 0.91 CA12 (0.44) CA12CA1CA2CA7CA13
SCHEMBL7870170 0.90 MEN1 (0.41) CA12CA1CA2CA7CA13
SCHEMBL10826536 0.87 CA12 (0.44) CA12CA1CA2CA7CA13
SCHEMBL7868322 0.87 CA12 (0.44) CA12CA1CA2CA7CA13
SCHEMBL7868417 0.85 CYP1A2 (0.45) CA12CA1CA2CA7CA13
SCHEMBL7873493 0.82 L3MBTL1 (0.42) KMT2AMEN1ALDH1A1CYP1A2CYP2C19
SCHEMBL7870128 0.82 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1CYP1A2CYP2C19
SCHEMBL27092113 0.80 CA12 (0.62) CA12CA1CA2CA7CA13

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
EP-0934985-B1 Phthalocyanine compound, method for production thereof and use thereof NIPPON CATALYTIC CHEM IND (JP) 2003-07-09 EP disclosed
EP-0882768-B1 Method for producing of phthalocyanine compound NIPPON CATALYTIC CHEM IND (JP) 2001-12-19 EP disclosed
US-6069244-A EXCELLENT ABILITY TO ABSORB NEAR INFRARED RAY; COMPATIBILITY WITH ACRYLIC RESINS; HEAT RESISTANCE; PHOTOSTABILITY; WEATHERPROOFING; HIGH TRANSMITTANCE TO A VISIBLE LIGHT RAY; HEAT RAY SHIELDING MATERIAL; PLASMA DISPLAY GRADE FILTER NIPPON SHOKUBAI CO., LTD. (JP) 2000-05-30 US 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-0934985-A2 Phthalocyanine compound, method for production thereof and use thereof NIPPON SHOKUBAI CO., LTD. (JP) 1999-08-11 EP disclosed
EP-0882768-A2 Method for producing of phthalocyanine compound NIPPON SHOKUBAI CO., LTD. (JP) 1998-12-09 EP disclosed
US-5359056-A Lightfastness, solvent solubility NIPPON SHOKUBAI CO., LTD. (JP) 1994-10-25 US disclosed
EP-0523959-A2 Novel phthalocyanine compounds, production method thereof, and near infrared ray absorption materials containing the same NIPPON SHOKUBAI CO., LTD. (JP) 1993-01-20 EP disclosed