SCHEMBL2460048

SCHEMBL2460048

COc1ccc(Sc2c(Cl)c(C#N)c(C#N)c(Nc3ccccc3)c2Sc2ccc(OC)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.45
ADORA2B P29275 2/20 0.45
MAPT P10636 5/20 0.41
ALDH1A1 P00352 5/20 0.40
HPGD P15428 4/20 0.39
KDM4E B2RXH2 4/20 0.39
GAA P10253 4/20 0.39
POLB P06746 2/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38
ADORA1 P30542 2/20 0.38
KDM1A O60341 1/20 0.38
RAD52 P43351 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
SCHEMBL3903067 0.95 ADORA2A (0.42) ADORA2AADORA2BMAPTALDH1A1HPGD
SCHEMBL2455604 0.88 MAOA (0.37) ADORA2AADORA2BMAPTALDH1A1HTT
SCHEMBL3889951 0.86 ADORA2A (0.45) ADORA2AADORA2BMAPTALDH1A1HPGD
SCHEMBL2458727 0.84 ADORA2A (0.45) ADORA2AADORA2BMAPTALDH1A1HPGD
SCHEMBL2453337 0.83 NPC1 (0.39) MAPTALDH1A1HPGDKDM4EGAA
SCHEMBL3901477 0.81 ADORA2A (0.42) ADORA2AADORA2BMAPTALDH1A1HPGD
SCHEMBL3903063 0.79 POLB (0.40) MAPTALDH1A1HPGDKDM4EGAA
SCHEMBL2453530 0.79 LTA4H (0.41) ADORA2AADORA2BMAPTALDH1A1HPGD
SCHEMBL2453573 0.77 MAPT (0.38) MAPTALDH1A1HPGDKDM4EGAA
SCHEMBL2456519 0.77 HSD11B1 (0.37) ADORA2AMAPTALDH1A1POLBHTT

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