SCHEMBL2456760

SCHEMBL2456760

CCN(CC)C(C)c1cccs1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.50
NPSR1 Q6W5P4 4/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 2/20 0.40
POLB P06746 1/20 0.40
THRB P10828 1/20 0.40
MAPT P10636 8/20 0.39
RBP1 P09455 1/20 0.39
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
MAPK1 P28482 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
Hydrochloric Acid SCHEMBL1281247 0.98 ALOX5 (0.49) ALOX5NPSR1LMNATP53POLB
SCHEMBL27603938 0.82 ALOX5 (0.45) ALOX5NPSR1LMNATP53POLB
SCHEMBL15272956 0.78 ALOX5 (0.45) ALOX5NPSR1LMNATP53POLB
SCHEMBL2376431 0.77 ALOX5 (0.55) ALOX5NPSR1LMNATP53POLB
SCHEMBL11201016 0.76 ALOX5 (0.39) ALOX5NPSR1LMNATP53POLB
Hydrochloric Acid SCHEMBL2412185 0.75 ALOX5 (0.53) ALOX5NPSR1LMNATP53POLB
Hydrochloric Acid SCHEMBL9472516 0.73 ALOX5 (0.51) ALOX5NPSR1LMNATP53POLB
SCHEMBL12311962 0.72
Butane SCHEMBL826689 0.72 ALOX5 (0.42) ALOX5NPSR1LMNATP53POLB
SCHEMBL94688 0.72

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 6 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
WO-2007028906-A2 METHOD FOR ASSAYING PRIMARY AMINES IN VERY LOW CONCENTRATION UNIVERSITE PAUL SABATIER (FR) 2007-03-15 WO 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