SCHEMBL2456495

SCHEMBL2456495

COC(=O)c1ccc(Oc2c(F)c(F)c(C#N)c(C#N)c2F)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 1/20 0.39
EZH2 Q15910 1/20 0.37
NOTUM Q6P988 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
XDH P47989 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL2455430 0.95 USP2 (0.43) CYP11B1CYP11B2USP2LMNAMAPK1
SCHEMBL2456368 0.89 USP2 (0.40) CYP11B1CYP11B2USP2HTTCYP1A2
SCHEMBL2454805 0.84 USP2 (0.42) CYP11B1CYP11B2USP2CYP1A2CYP3A4
SCHEMBL3893589 0.82 ALDH1A1 (0.46) LMNAMAPK1HTTRAB9AMAPT
SCHEMBL27603944 0.78 EZH2 (0.49) CYP11B1CYP11B2USP2LMNAMAPK1
SCHEMBL2455104 0.78 HSD17B2 (0.50) LMNAMAPK1RAB9ACYP2C19MAPT
SCHEMBL2453897 0.73 ALDH1A1 (0.44) CYP11B1CYP11B2LMNAMAPK1HTT
SCHEMBL1988161 0.73 HTT (0.71) LMNAMAPK1HTTRAB9ACYP1A2
SCHEMBL2454511 0.72 HSD17B2 (0.52) LMNAMAPK1RAB9ACYP2C19MAPT
SCHEMBL1275177 0.72 TRPA1 (0.51) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9

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