SCHEMBL2454722

SCHEMBL2454722

COc1c(Nc2cccc(C#N)c2C#N)cc(F)c(Sc2ccccc2)c1Sc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
AR P10275 3/20 0.35
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
MAPT P10636 3/20 0.32
TUBB4A P04350 3/20 0.32
TUBB P07437 3/20 0.32
TUBA3C P0DPH7 3/20 0.32
TUBA1B P68363 3/20 0.32
TUBA4A P68366 3/20 0.32
TUBB4B P68371 3/20 0.32
TUBB3 Q13509 3/20 0.32
TUBB2A Q13885 3/20 0.32
TUBB8 Q3ZCM7 3/20 0.32
TUBA3E Q6PEY2 3/20 0.32
TUBA1A Q71U36 3/20 0.32
TUBA1C Q9BQE3 3/20 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
SCHEMBL2455263 0.87 AR (0.35) JAK1TYK2ARMAOAMAOB
SCHEMBL2454724 0.84 AR (0.39) ARMAOAMAOBMAPTMEN1
SCHEMBL2460758 0.77 TYK2 (0.38) JAK1TYK2ARMAOAMAOB
SCHEMBL2453616 0.77 KDM4E (0.38) ARMAOAMAOBMAPTMEN1
SCHEMBL6218942 0.74 KDM4E (0.39) ARMAOBMAPTTUBB4ATUBB
SCHEMBL2455264 0.74 SRC (0.42) ARMAOAMAOBMAPTMEN1
SCHEMBL2455401 0.72 KDM4E (0.43) ARMAOAMAOBMAPTMEN1
SCHEMBL2453559 0.71 KDM4E (0.39) ARMAOAMAOBMAPTMEN1
SCHEMBL2453472 0.70 MEN1 (0.36) ARMAOBMAPTTUBB4ATUBB
SCHEMBL2452184 0.70 KDM4E (0.37) ARMAOAMAOBMAPTMEN1

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 2 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
EP-1577350-A1 Method for production of halogen-containing phthalocyanine compound Nippon Shokubai Co., Ltd. (JP) 2005-09-21 EP disclosed