SCHEMBL2454986

SCHEMBL2454986

Cc1ccc(Nc2c(F)c(C#N)c(C#N)c(F)c2Nc2ccc(C)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RAPGEF4 Q8WZA2 1/20 0.46
GAA P10253 2/20 0.45
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 3/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
HPGD P15428 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
G6PD P11413 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
EGFR P00533 1/20 0.39
ERBB2 P04626 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL2458090 0.93 MEN1 (0.47) DHODHMEN1KMT2ASMN1; SMN2RAPGEF4
SCHEMBL14318533 0.84 MEN1 (0.46) DHODHMEN1KMT2ASMN1; SMN2RAPGEF4
SCHEMBL2455711 0.81 ADORA1 (0.46) MEN1KMT2ASMN1; SMN2GAAALDH1A1
SCHEMBL14318534 0.80 DHODH (0.46) DHODHMEN1KMT2ASMN1; SMN2RAPGEF4
SCHEMBL2453587 0.78 DHODH (0.46) DHODHMEN1KMT2ASMN1; SMN2GAA
SCHEMBL7868425 0.76 MEN1 (0.47) MEN1KMT2AALDH1A1KDM4EADORA2A
SCHEMBL7868431 0.75 MAPT (0.44) DHODHMEN1KMT2AGAAALDH1A1
SCHEMBL2460760 0.75 HTT (0.49) KMT2ASMN1; SMN2GAAALDH1A1KDM4E
SCHEMBL3963873 0.74 ADORA1 (0.44) MEN1KMT2ASMN1; SMN2GAAALDH1A1
SCHEMBL14318535 0.74 DHODH (0.45) DHODHMEN1KMT2ASMN1; SMN2RAPGEF4

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