SCHEMBL2456433

SCHEMBL2456433

CCCCSc1c(Cl)c(C#N)c(C#N)c(Nc2ccccc2)c1SCCCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
HTT P42858 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
STAT6 P42226 1/20 0.35
HIF1A Q16665 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
ADORA2A P29274 4/20 0.35
ADORA1 P30542 3/20 0.35
KCNH3 Q9ULD8 1/20 0.34
TSHR P16473 1/20 0.34
RECQL P46063 1/20 0.33
RPS27 P42677 1/20 0.33
MAPK8 P45983 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
SCHEMBL2455415 0.85 ADORA1 (0.36) ALDH1A1HTTNPSR1MEN1KMT2A
SCHEMBL2451318 0.76 LTA4H (0.36) ALDH1A1HTTNPSR1MEN1KMT2A
SCHEMBL2455604 0.74 MAOA (0.37) ALDH1A1HTTNPSR1MEN1KMT2A
SCHEMBL2456519 0.71 HSD11B1 (0.37) ALDH1A1HTTNPSR1MEN1KMT2A
SCHEMBL14325881 0.69 ADORA2A (0.44) ALDH1A1HTTNPSR1MEN1KMT2A
SCHEMBL2460048 0.69 ADORA2A (0.45) ALDH1A1HTTNPSR1MEN1KMT2A
SCHEMBL3892887 0.68 AR (0.36) ALDH1A1HTTNPSR1MEN1KMT2A
SCHEMBL2454751 0.68 KDM4E (0.34) NPSR1KDM4EADORA2AADORA1SMN1; SMN2
SCHEMBL2453567 0.68 ADORA2A (0.38) ALDH1A1HTTKDM4EMAPTHPGD
SCHEMBL3903067 0.67 ADORA2A (0.42) ALDH1A1HTTNPSR1KMT2AKDM4E

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