SCHEMBL23453356

SCHEMBL23453356

CCN(CC)c1ccc2cc(-c3nc4cc(C(=O)NC(CNC(=O)/C=C/C5=C/C=C\C=C\C=C/5)C(=O)O)ccc4o3)c(=O)oc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 12/20 0.41
▸ NR1H4 Q96RI1 1/20 0.41
▸ MEN1 O00255 7/20 0.40
▸ KMT2A Q03164 7/20 0.40
▸ ALDH1A1 P00352 6/20 0.40
▸ KDM4E B2RXH2 5/20 0.40
▸ SMN1; SMN2 Q16637 5/20 0.40
▸ LMNA P02545 4/20 0.40
▸ NPC1 O15118 4/20 0.40
▸ HTT P42858 4/20 0.40
▸ USP2 O75604 4/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ CYP19A1 P11511 4/20 0.38
▸ HPGD P15428 4/20 0.37
▸ HSD17B10 Q99714 3/20 0.37
▸ SLC16A3 O15427 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ SLC16A1 P53985 1/20 0.37
▸ THRB P10828 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
SCHEMBL25997464 0.90 ITGB3 (0.39) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL23419323 0.88 MAPT (0.44) MAPTNR1H4MEN1KMT2AALDH1A1
SCHEMBL25997471 0.77 ITGB3 (0.37) MAPTNPC1RAB9AHDAC6TP53
SCHEMBL29761153 0.76 ALDH1A1 (0.60) MAPTNR1H4MEN1KMT2AALDH1A1
SCHEMBL17445577 0.76 ALDH1A1 (0.60) MAPTNR1H4MEN1KMT2AALDH1A1
SCHEMBL23419400 0.73 MAPT (0.42) MAPTNR1H4MEN1KMT2AALDH1A1
SCHEMBL26082908 0.73 CYP19A1 (0.60) MAPTNR1H4MEN1KMT2AALDH1A1
SCHEMBL23419434 0.73 ITGB3 (0.37) MAPTNPC1RAB9AHDAC6TP53
SCHEMBL22386529 0.72 MAPT (0.43) MAPTNR1H4MEN1KMT2AALDH1A1
SCHEMBL26082647 0.72 CYP19A1 (0.57) MAPTNR1H4MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230265503-A1 CYCLOOCTATETRAENE CONTAINING DYES AND COMPOSITIONS ILLUMINA CAMBRIDGE LIMITED (GB) 2023-08-24 — — US disclosed
WO-2021104845-A1 CYCLOOCTATETRAENE CONTAINING DYES AND COMPOSITIONS ILLUMINA CAMBRIDGE LIMITED (GB) 2021-06-03 — — WO disclosed
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