SCHEMBL2454670

SCHEMBL2454670

CCCCSc1c(F)c(C#N)c(C#N)c(Oc2ccccc2)c1SCCCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.36
AR P10275 2/20 0.34
MAPT P10636 6/20 0.33
ALDH1A1 P00352 6/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
KDM4E B2RXH2 3/20 0.33
NPSR1 Q6W5P4 3/20 0.33
HPGD P15428 2/20 0.33
HIF1A Q16665 2/20 0.33
GAA P10253 1/20 0.33
STAT6 P42226 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
THRB P10828 1/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
LMNA P02545 2/20 0.32
PTGS2 P35354 1/20 0.31

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
SCHEMBL7866692 0.91 LTA4H (0.37) LTA4HARMAPTALDH1A1MEN1
SCHEMBL2451318 0.85 LTA4H (0.36) LTA4HARMAPTALDH1A1MEN1
SCHEMBL7861736 0.80 MAPT (0.39) ARMAPTALDH1A1MEN1KMT2A
SCHEMBL2454814 0.79 AR (0.36) ARMAPTALDH1A1MEN1KMT2A
SCHEMBL27603951 0.77 AR (0.38) LTA4HARMAPTKDM4ESMN1; SMN2
SCHEMBL2455415 0.76 ADORA1 (0.36) ARMAPTALDH1A1MEN1KMT2A
SCHEMBL7866685 0.76 LTA4H (0.51) LTA4HMAPTALDH1A1MEN1KMT2A
SCHEMBL2455103 0.74 MAOA (0.37) LTA4HMAPTALDH1A1MEN1KMT2A
SCHEMBL7103435 0.72 KMT2A (0.44) LTA4HMAPTALDH1A1MEN1KMT2A
SCHEMBL2456872 0.71 CA12 (0.37) LTA4HMAPTALDH1A1MEN1KMT2A

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