SCHEMBL6888043

SCHEMBL6888043

COCCOc1cccc(C#N)c1C#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
EGFR P00533 2/20 0.40
ERBB2 P04626 2/20 0.40
SQOR Q9Y6N5 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
ALDH1A1 P00352 2/20 0.39
POLB P06746 2/20 0.39
GAA P10253 1/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 3/20 0.38
TSHR P16473 3/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL16982292 0.95 AR (0.50) ARNPC1RAB9AEGFRERBB2
SCHEMBL16982187 0.95 AR (0.50) ARNPC1RAB9AEGFRERBB2
SCHEMBL4260710 0.95 AR (0.50) ARNPC1RAB9AEGFRERBB2
SCHEMBL16958478 0.89 NPC1 (0.43) ARNPC1RAB9AEGFRERBB2
SCHEMBL17727986 0.85 ALDH1A1 (0.40) NPC1RAB9AMAOAMAOBALDH1A1
SCHEMBL828475 0.84 AR (0.53) ARNPC1RAB9AMAOAALDH1A1
SCHEMBL7267959 0.83 CYP1A2 (0.46) ARNPC1RAB9AALDH1A1POLB
SCHEMBL12284280 0.83 AR (0.50) ARNPC1RAB9AEGFRERBB2
SCHEMBL8718691 0.82 MAOA (0.53) ARNPC1RAB9AMAOAMAOB
SCHEMBL8044771 0.82 FDPS (0.44) ARNPC1RAB9AEGFRERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230145826-A1 FLUORESCENT LABELING AGENT AND FLUORESCENT DYE TOYO INK SC HOLDINGS CO., LTD. (JP) 2023-05-11 US disclosed
EP-3099774-B1 USE OF ORTHO-SUBSTITUTED ETHOXYLATED AL OR ZN-PHTHALOCYANINE COMPOUNDS AS PHOTOBLEACH AGENTS IN LAUNDRY DETERGENTS BASF SE (DE) 2018-02-21 EP disclosed
US-20160348032-A1 USE OF ORTHO-SUBSTITUTED ETHOXYLATED AL OR ZN-PHTHALOCYANINE COMPOUNDS AS PHOTOBLEACH AGENTS IN LAUNDRY DETERGENTS BASF SE (DE) 2016-12-01 US disclosed
WO-2015113709-A1 USE OF ORTHO-SUBSTITUTED ETHOXYLATED AL OR ZN-PHTHALOCYANINE COMPOUNDS AS PHOTOBLEACH AGENTS IN LAUNDRY DETERGENTS BASF SE (DE) 2015-08-06 WO disclosed
CN-1283975-C Optical data storage device containing Co-Phthalocyanin complex in optically writable information layer BAYER AG (DE) 2006-11-08 CN disclosed
US-6713146-B2 SINGLY RECORDABLE COMPACT DISC (CD-R) BAYER AKTIENGESELLSCHAFT (DE) 2004-03-30 US disclosed
CN-1462358-A Optical data storage device containing Co-Phthalocyanin complex in optically writable information layer BAYER AG (DE) 2003-12-17 CN disclosed
US-20020127366-A1 Optical data stores containing a Co-phthalocyanine complex in the information layer recordable using light LANXESS DEUTSCHLAND GMBH (DE) 2002-09-12 US disclosed