SCHEMBL2453469

SCHEMBL2453469

COc1ccc(Sc2c(F)c(C#N)c(C#N)c(NCc3ccccc3)c2Sc2ccc(OC)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
MAPT P10636 4/20 0.39
TP53 P04637 2/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
CTSL P07711 2/20 0.39
POLB P06746 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA13 Q8N1Q1 1/20 0.38
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38

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
SCHEMBL2455396 0.89 HPGD (0.39) ALDH1A1MAPTKDM4EGAAHPGD
SCHEMBL2453337 0.87 NPC1 (0.39) ALDH1A1MAPTTP53KDM4EGAA
SCHEMBL3889951 0.83 ADORA2A (0.45) ALDH1A1MAPTKDM4EGAAHPGD
SCHEMBL2455421 0.81 GAA (0.36) ALDH1A1MAPTKDM4EGAAMEN1
SCHEMBL3901477 0.81 ADORA2A (0.42) ALDH1A1MAPTKDM4EGAAHPGD
SCHEMBL27622761 0.80 MEN1 (0.44) ALDH1A1MAPTTP53KDM4EGAA
SCHEMBL2458727 0.76 ADORA2A (0.45) ALDH1A1MAPTKDM4EGAAHPGD
SCHEMBL2453576 0.76 HSD11B1 (0.36) ALDH1A1MAPTKDM4EGAAHPGD
SCHEMBL2456354 0.74 HPGD (0.42) ALDH1A1MAPTKDM4EGAAHPGD
SCHEMBL2454355 0.74 SLC2A1 (0.33) ALDH1A1KDM4EHPGDLMNA

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