SCHEMBL2453337

SCHEMBL2453337

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
MAPT P10636 5/20 0.39
ALDH1A1 P00352 3/20 0.39
TP53 P04637 2/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 2/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CTSL P07711 2/20 0.39
POLB P06746 1/20 0.39
NRP1 O14786 1/20 0.39
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 1/20 0.37
ACP1 P24666 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL2456354 0.89 HPGD (0.42) MAPTALDH1A1KDM4EGAAHPGD
SCHEMBL2453469 0.87 ALDH1A1 (0.39) MAPTALDH1A1TP53KDM4EGAA
SCHEMBL2460048 0.83 ADORA2A (0.45) NPC1MAPTALDH1A1KDM4EGAA
SCHEMBL27622775 0.83 POLB (0.44) NPC1MAPTALDH1A1TP53KDM4E
SCHEMBL2453573 0.81 MAPT (0.38) MAPTALDH1A1KDM4EGAAHPGD
SCHEMBL3903067 0.81 ADORA2A (0.42) NPC1MAPTALDH1A1KDM4EGAA
SCHEMBL2460039 0.78 HPGD (0.40) MAPTALDH1A1KDM4EGAAHPGD
SCHEMBL2453530 0.76 LTA4H (0.41) NPC1MAPTALDH1A1KDM4EGAA
SCHEMBL2453843 0.75 HPGD (0.36) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2455396 0.74 HPGD (0.39) MAPTALDH1A1KDM4EGAAHPGD

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