SCHEMBL2453472

SCHEMBL2453472

COc1ccc(Sc2cc(CNc3cccc(C#N)c3C#N)cc(F)c2Sc2ccc(OC)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 2/20 0.36
MAOB P27338 1/20 0.36
KDM4E B2RXH2 5/20 0.35
MAPT P10636 3/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 2/20 0.35
HPGD P15428 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
GRM5 P41594 1/20 0.35
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
AR P10275 2/20 0.34
ACP1 P24666 1/20 0.34
TUBB4A P04350 1/20 0.33
TUBB P07437 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
SCHEMBL2453338 0.89 MAPT (0.41) MEN1KMT2APOLBMAOBKDM4E
SCHEMBL2455401 0.88 KDM4E (0.43) MEN1KMT2APOLBMAOBKDM4E
SCHEMBL6218942 0.83 KDM4E (0.39) MEN1KMT2APOLBMAOBKDM4E
SCHEMBL2453579 0.78 KDM4E (0.38) KDM4EHPGDTSHRHSD17B10AR
SCHEMBL2456356 0.76 KDM4E (0.43) MEN1KMT2AMAOBKDM4EMAPT
SCHEMBL2458731 0.75 MAPT (0.39) MEN1KMT2APOLBMAOBKDM4E
SCHEMBL2460050 0.74 MAPT (0.45) MEN1KMT2APOLBMAOBKDM4E
SCHEMBL27622761 0.73 MEN1 (0.44) MEN1KMT2APOLBKDM4EMAPT
SCHEMBL2453767 0.71 KDM4E (0.39) KDM4EMAPTHPGDTSHRHSD17B10
SCHEMBL2453616 0.70 KDM4E (0.38) MEN1KMT2AMAOBKDM4EMAPT

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