SCHEMBL2455089

SCHEMBL2455089

Cc1cccc(Nc2c(F)c(F)c(C#N)c(C#N)c2F)c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 2/20 0.49
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
KMT2A Q03164 5/20 0.38
MEN1 O00255 3/20 0.38
LMNA P02545 4/20 0.38
TDP1 Q9NUW8 3/20 0.38
AKR1B10 O60218 1/20 0.38
TRPA1 O75762 1/20 0.38
ABCB11 O95342 1/20 0.38
DHFR P00374 1/20 0.38
MPO P05164 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CHRM1 P11229 1/20 0.38
CYP2C9 P11712 1/20 0.38
AKR1B1 P15121 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
AKR1C3 P42330 1/20 0.38

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
SCHEMBL7870059 0.88 MEN1 (0.50) KMT2AMEN1LMNATDP1CYP1A2
SCHEMBL7869295 0.84 NRP1 (0.39) RAPGEF4KMT2AMEN1LMNATDP1
SCHEMBL7866699 0.78 MELK (0.38) KMT2AMEN1TDP1CYP1A2HIF1A
SCHEMBL2455088 0.76 RAPGEF4 (0.53) RAPGEF4TDO2KMT2AMEN1RAB9A
SCHEMBL7873558 0.75 MAPK1 (0.47) IDO1TDO2KMT2AMEN1LMNA
SCHEMBL7868425 0.75 MEN1 (0.47) KMT2AMEN1CYP2C9TSHRHTT
SCHEMBL14318564 0.71 ALDH1A1 (0.43) KMT2AMEN1LMNAHTTKDM4E
SCHEMBL2458090 0.71 MEN1 (0.47) RAPGEF4KMT2AMEN1LMNACYP1A2
SCHEMBL7870086 0.71 SRC (0.37) KMT2AMEN1LMNACYP1A2CYP3A4
SCHEMBL3963873 0.70 ADORA1 (0.44) KMT2AMEN1LMNATDP1PTGS1

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