SCHEMBL2455263

SCHEMBL2455263

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.35
SRC P12931 4/20 0.34
BTK Q06187 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
MAPT P10636 4/20 0.33
GAA P10253 3/20 0.33
HPGD P15428 3/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33

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
SCHEMBL2454722 0.87 JAK1 (0.36) ARMAOAMAOBMAPTHPGD
SCHEMBL2455264 0.84 SRC (0.42) ARSRCMAOAMAOBMAPT
SCHEMBL2460050 0.74 MAPT (0.45) ARBTKMAOBMAPTGAA
SCHEMBL2454724 0.74 AR (0.39) ARSRCMAOAMAOBMAPT
SCHEMBL2456356 0.72 KDM4E (0.43) MAOAMAOBMAPTGAAHPGD
SCHEMBL2453338 0.70 MAPT (0.41) ARMAOBMAPTGAAHPGD
SCHEMBL2453616 0.68 KDM4E (0.38) ARMAOAMAOBMAPTGAA
SCHEMBL2460758 0.68 TYK2 (0.38) ARMAOAMAOBGAAKDM4E
SCHEMBL2452184 0.67 KDM4E (0.37) ARMAOAMAOBMAPTGAA
SCHEMBL6218942 0.66 KDM4E (0.39) ARMAOBMAPTGAAHPGD

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