SCHEMBL16982292

SCHEMBL16982292

COCCOCCOCCOc1cccc(C#N)c1C#N

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.50
KDM4E B2RXH2 3/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.39
EGFR P00533 2/20 0.38
ERBB2 P04626 2/20 0.38
SQOR Q9Y6N5 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 2/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL4260710 1.00 AR (0.50) ARKDM4ENPC1RAB9AL3MBTL1
SCHEMBL16982187 1.00 AR (0.50) ARKDM4ENPC1RAB9AL3MBTL1
SCHEMBL6888043 0.95 AR (0.47) ARKDM4ENPC1RAB9AEGFR
SCHEMBL19527734 0.86 KDM4E (0.57) ARKDM4ENPC1RAB9AL3MBTL1
SCHEMBL29530470 0.86 KDM4E (0.57) ARKDM4ENPC1RAB9AL3MBTL1
SCHEMBL16958478 0.85 NPC1 (0.43) ARKDM4ENPC1RAB9AEGFR
SCHEMBL16982294 0.85 KDM4E (0.44) ARKDM4ENPC1RAB9AALDH1A1
SCHEMBL29782720 0.85 KDM4E (0.44) ARKDM4ENPC1RAB9AALDH1A1
SCHEMBL16982293 0.85 KDM4E (0.44) ARKDM4ENPC1RAB9AALDH1A1
SCHEMBL16982250 0.85 KDM4E (0.44) ARKDM4ENPC1RAB9AALDH1A1

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-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