SCHEMBL6552104

SCHEMBL6552104

Cc1cccc(C)c1Oc1c(C#N)c(C#N)c(F)c(Oc2cc(Cl)ccc2Cl)c1Oc1cc(Cl)ccc1Cl

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.34
KDM4E B2RXH2 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
SLC22A12 Q96S37 3/20 0.34
BCAT2 O15382 2/20 0.34
BCAT1 P54687 2/20 0.34
SCN8A Q9UQD0 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
RHEB Q15382 1/20 0.33
HTT P42858 1/20 0.33
GPBAR1 Q8TDU6 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
S1PR1 P21453 1/20 0.32
HTR1A P08908 1/20 0.32
SLC6A2 P23975 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 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
SCHEMBL2451304 0.85 SLC22A12 (0.38) MEN1KMT2ASLC22A12RHEBHTT
SCHEMBL6551826 0.84 MEN1 (0.32) MEN1KMT2ASLC22A12HTT
SCHEMBL6550807 0.84 KDM4E (0.37) ARKDM4ENPSR1MEN1KMT2A
SCHEMBL5932023 0.83 CYP1A2 (0.37) ARNPSR1SLC22A12GPBAR1ALDH1A1
SCHEMBL6551650 0.74 AR (0.43) ARKDM4EMEN1KMT2ASCN8A
SCHEMBL7870097 0.74 AR (0.42) ARKDM4ENPSR1SLC22A12BCAT2
SCHEMBL27603945 0.71 SLC22A12 (0.39) MEN1KMT2ASLC22A12RHEBGPBAR1
SCHEMBL7870106 0.69 SLC6A3 (0.43) SLC22A12HPGDSLC6A2
SCHEMBL20560567 0.69 RHEB (0.36) KDM4EMEN1KMT2ASLC22A12RHEB
SCHEMBL29579697 0.69 RHEB (0.36) KDM4EMEN1KMT2ASLC22A12RHEB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1072959-B1 Phthalocyanine compound, method for production thereof, and near infrared absorption dye using the compound NIPPON CATALYTIC CHEM IND (JP) 2004-12-08 EP disclosed
US-6323340-B1 Phthalocyanine compound, method for production thereof, and near infrared absorption dye using the compound NIPPON SHOBUKAI CO., LTD. (JP) 2001-11-27 US disclosed
EP-1072959-A1 Phthalocyanine compound, method for production thereof, and near infrared absorption dye using the compound NIPPON SHOKUBAI KABUSHIKI KAISHA (JP) 2001-01-31 EP disclosed