SCHEMBL2453537

SCHEMBL2453537

COc1ccc(Sc2c(F)c(F)c(C#N)c(C#N)c2Oc2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 1/20 0.40
CRHBP P24387 1/20 0.40
RAB9A P51151 1/20 0.40
CRHR2 Q13324 1/20 0.40
POLB P06746 3/20 0.39
GAA P10253 1/20 0.39
PTPN1 P18031 1/20 0.38
ADORA1 P30542 3/20 0.36
ADORA2A P29274 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
RXFP1 Q9HBX9 2/20 0.36
KDM4E B2RXH2 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL2456872 0.90 CA12 (0.37) LTA4HMEN1KMT2AMAPTALDH1A1
SCHEMBL2453530 0.83 LTA4H (0.41) LTA4HMEN1KMT2AMAPTALDH1A1
SCHEMBL2455103 0.82 MAOA (0.37) LTA4HMEN1KMT2AMAPTALDH1A1
SCHEMBL2458727 0.79 ADORA2A (0.45) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL5379346 0.79 AR (0.40) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL3889951 0.74 ADORA2A (0.45) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL23417739 0.74 CA12 (0.44) LTA4HMEN1KMT2AMAPTALDH1A1
SCHEMBL7106499 0.72 CA12 (0.49) LTA4HMEN1KMT2AMAPTALDH1A1
SCHEMBL7869250 0.72 CA12 (0.49) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL7103435 0.72 KMT2A (0.44) LTA4HMEN1KMT2AMAPTALDH1A1

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 5 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
CN-1680380-A Method for production of halogen-containing phthalocyanine compound NIPPON CATALYTIC CHEM IND (JP) 2005-10-12 CN 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