SCHEMBL6551650

SCHEMBL6551650

Cc1cccc(C)c1Oc1c(C#N)c(C#N)c(F)c(Oc2ccc(C#N)cc2)c1Oc1ccc(C#N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.43
SCN8A Q9UQD0 1/20 0.36
PGR P06401 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP11B1 P15538 1/20 0.35
CYP19A1 P11511 1/20 0.35
MAOB P27338 1/20 0.34
SLC6A4 P31645 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
PARP15 Q460N3 1/20 0.33
PARP10 Q53GL7 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 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
SCHEMBL922641 0.83 AR (0.53) ARSCN8APGRCYP19A1MAOB
SCHEMBL7106823 0.83 PARP15 (0.43) ARPGRCYP1A2CYP2C19CYP3A4
SCHEMBL6550807 0.81 KDM4E (0.37) ARCYP1A2CYP2C19CYP3A4KDM4E
SCHEMBL6552310 0.81 AR (0.36) ARPGRCYP1A2CYP2C19CYP3A4
SCHEMBL7870097 0.78 AR (0.42) ARSCN8ACYP1A2CYP2C19CYP3A4
SCHEMBL7868322 0.77 CA12 (0.44) CYP1A2CYP2C19CYP3A4MAOBSLC6A4
SCHEMBL6551465 0.76 PGR (0.37) ARPGRCYP11B1KDM4E
SCHEMBL6552104 0.74 AR (0.34) ARSCN8AKDM4EMEN1KMT2A
SCHEMBL7103435 0.71 KMT2A (0.44) CYP1A2CYP2C19MAOBSMN1; SMN2POLB
SCHEMBL10826520 0.71 AR (0.41) ARSCN8ACYP1A2CYP2C19CYP3A4

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