SCHEMBL2454751

SCHEMBL2454751

CCCCNc1c(C#N)c(C#N)c(Cl)c(Sc2ccccc2)c1Sc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SLC2A1 P11166 3/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
ABCB1 P08183 1/20 0.33
ABCG2 Q9UNQ0 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
SCHEMBL2453573 0.86 MAPT (0.38) KDM4ENPSR1MAOAMAOBLMNA
SCHEMBL2454586 0.86 PTGS2 (0.35) KDM4ENPSR1L3MBTL1SLC2A1RAB9A
SCHEMBL2454355 0.85 SLC2A1 (0.33) KDM4EL3MBTL1SLC2A1ABCB1ABCG2
SCHEMBL2456354 0.81 HPGD (0.42) KDM4ENPSR1L3MBTL1SMN1; SMN2MAOA
SCHEMBL2454857 0.79 CYP1A2 (0.35) NPSR1
SCHEMBL27622772 0.77 CA12 (0.39) KDM4ERAB9ASMN1; SMN2CA12CA1
SCHEMBL2455604 0.77 MAOA (0.37) NPSR1MAOAMAOBADORA1ADORA2A
SCHEMBL3903063 0.71 POLB (0.40) KDM4ENPSR1L3MBTL1RAB9ASMN1; SMN2
SCHEMBL3903067 0.71 ADORA2A (0.42) KDM4ENPSR1L3MBTL1RAB9ASMN1; SMN2
SCHEMBL2460048 0.69 ADORA2A (0.45) KDM4ENPSR1RAB9ASMN1; SMN2ABCG2

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