SCHEMBL2453576

SCHEMBL2453576

N#Cc1c(F)c(Sc2ccccc2Cl)c(Sc2ccccc2Cl)c(NCc2ccccc2)c1C#N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.36
MAP3K8 P41279 2/20 0.36
HPGD P15428 6/20 0.35
KDM4E B2RXH2 5/20 0.35
TSHR P16473 3/20 0.35
HSD17B10 Q99714 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA13 Q8N1Q1 1/20 0.34
ALDH1A1 P00352 5/20 0.34
MAPT P10636 3/20 0.34
KMT2A Q03164 2/20 0.33
PTGS2 P35354 1/20 0.33
POLB P06746 1/20 0.33
RAD52 P43351 1/20 0.33
LMNA P02545 3/20 0.32
HTT P42858 3/20 0.32
CTSL P07711 1/20 0.32

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
SCHEMBL2453765 0.93 HSD11B1 (0.36) HSD11B1MAP3K8HPGDKDM4ETSHR
SCHEMBL2454939 0.89 MAP3K8 (0.36) MAP3K8HPGDKDM4ETSHRHSD17B10
SCHEMBL2460039 0.88 HPGD (0.40) HSD11B1MAP3K8HPGDKDM4ETSHR
SCHEMBL2455396 0.84 HPGD (0.39) HPGDKDM4ETSHRHSD17B10CA12
SCHEMBL2454091 0.82 HSD11B1 (0.44) HSD11B1HPGDKDM4EALDH1A1MAPT
SCHEMBL2451807 0.82 HSD11B1 (0.36) HSD11B1TSHRALDH1A1MAPTPTGS2
SCHEMBL27622962 0.80 HPGD (0.42) HSD11B1MAP3K8HPGDKDM4ETSHR
SCHEMBL2453843 0.77 HPGD (0.36) MAP3K8HPGDKDM4ETSHRHSD17B10
SCHEMBL2453824 0.77 HSD11B1 (0.42) HSD11B1HPGDKDM4EALDH1A1MAPT
SCHEMBL2453469 0.76 ALDH1A1 (0.39) HPGDKDM4ETSHRHSD17B10CA12

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