SCHEMBL2457490

SCHEMBL2457490

N#Cc1c(Cl)c(Sc2ccccc2Cl)c(Sc2ccccc2Cl)c(Oc2ccccc2)c1C#N

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.37
PIN1 Q13526 1/20 0.35
PTGS2 P35354 1/20 0.34
MAPT P10636 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP2C9 P11712 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
AR P10275 1/20 0.32
HPGD P15428 1/20 0.31
RHEB Q15382 1/20 0.31
LDHA P00338 1/20 0.30
FNTA P49354 1/20 0.30
FNTB P49356 1/20 0.30
DPP4 P27487 1/20 0.30

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
SCHEMBL2453341 0.85 MAOA (0.37) PIN1MAPTCYP1A2CYP2C19MEN1
SCHEMBL2456744 0.85 HSD11B1 (0.36) HSD11B1PTGS2MAPTALDH1A1AR
SCHEMBL2453220 0.80 AR (0.38) HSD11B1PTGS2MAPTCYP1A2CYP2C19
SCHEMBL2453530 0.79 LTA4H (0.41) MAPTCYP1A2CYP2C19MEN1ALDH1A1
SCHEMBL27603952 0.76 MAPT (0.38) HSD11B1PIN1PTGS2MAPTCYP1A2
SCHEMBL2454556 0.74 ALDH1A1 (0.35) HSD11B1MAPTMEN1ALDH1A1KMT2A
SCHEMBL2456519 0.74 HSD11B1 (0.37) HSD11B1PTGS2MAPTMEN1ALDH1A1
SCHEMBL8694197 0.72 KMT2A (0.41) PIN1MAPTCYP1A2CYP2C19MEN1
SCHEMBL2456144 0.72 AR (0.39) HSD11B1PTGS2MEN1ALDH1A1KMT2A
SCHEMBL2451318 0.71 LTA4H (0.36) PIN1PTGS2MAPTCYP1A2CYP2C19

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