SCHEMBL2460758

SCHEMBL2460758

COc1c(F)cc(Nc2cccc(C#N)c2C#N)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 4/20 0.38
JAK1 P23458 1/20 0.38
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
AR P10275 1/20 0.33
HTR2A P28223 1/20 0.33
CASP3 P42574 1/20 0.33
CASP7 P55210 1/20 0.33
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
STAT3 P40763 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 1/20 0.32
TUBA1A Q71U36 1/20 0.32

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
SCHEMBL2453586 0.84 LMNA (0.35) KDM4ELRRK2ALDH1A1GAA
SCHEMBL2458086 0.83 EGFR (0.33) MAOAMAOBKDM4ELRRK2ALDH1A1
SCHEMBL27622785 0.80 EGFR (0.35) MAOAMAOBKDM4ELRRK2ALDH1A1
SCHEMBL2454722 0.77 JAK1 (0.36) TYK2JAK1MAOAMAOBAR
SCHEMBL2458092 0.71 TSHR (0.34) CASP3CASP7KDM4ELRRK2ALDH1A1
SCHEMBL8606393 0.70 TRPV4 (0.39) ARHTR2AKDM4EALDH1A1
SCHEMBL2458731 0.69 MAPT (0.39) MAOBARTUBB4ATUBBTUBA3C
SCHEMBL2455263 0.68 AR (0.35) TYK2JAK1MAOAMAOBAR
SCHEMBL679158 0.67 AR (0.47) TYK2JAK1ARHTR2AGAA
SCHEMBL10380920 0.66 LMNA (0.34) KDM4EALDH1A1NPSR1RXFP1

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