SCHEMBL25997464

SCHEMBL25997464

Cc1ccc2cc(-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 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 1/20 0.39
▸ ITGA2B P08514 1/20 0.39
▸ TAS1R3 Q7RTX0 2/20 0.34
▸ TAS1R1 Q7RTX1 2/20 0.34
▸ MAPT P10636 8/20 0.33
▸ HDAC6 Q9UBN7 3/20 0.33
▸ HPSE Q9Y251 1/20 0.33
▸ AGPAT2 O15120 1/20 0.33
▸ TP53 P04637 2/20 0.33
▸ THRB P10828 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ CYP3A4 P08684 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
SCHEMBL23453356 0.90 MAPT (0.41) MAPTHDAC6TP53THRBSMN1; SMN2
SCHEMBL25997471 0.77 ITGB3 (0.37) ITGB3ITGA2BTAS1R3TAS1R1MAPT
SCHEMBL23419323 0.77 MAPT (0.44) ITGB3ITGA2BMAPTHDAC6TP53
SCHEMBL23419434 0.74 ITGB3 (0.37) ITGB3ITGA2BTAS1R3TAS1R1MAPT
SCHEMBL25997466 0.71 RAB9A (0.37) ITGB3ITGA2BMAPTHDAC6HPSE
SCHEMBL26082652 0.70 MAPT (0.35) ITGB3ITGA2BTAS1R3TAS1R1MAPT
SCHEMBL23419431 0.65 SMN1; SMN2 (0.34) SMN1; SMN2ALDH1A1LMNA
SCHEMBL23453253 0.65 HPGD (0.33) SMN1; SMN2KMT2ALMNA
SCHEMBL15274922 0.64 TP53 (0.56) MAPTAGPAT2TP53THRBSMN1; SMN2
SCHEMBL23419681 0.63 SLC6A19 (0.33) SMN1; SMN2ALDH1A1LMNA

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
US-12031178-B2 Cyclooctatetraene containing dyes and compositions ILLUMINA CAMBRIDGE LIMITED (GB) 2024-07-09 — — US disclosed
US-20230265503-A1 CYCLOOCTATETRAENE CONTAINING DYES AND COMPOSITIONS ILLUMINA CAMBRIDGE LIMITED (GB) 2023-08-24 — — US disclosed
US-20230265502-A1 CYCLOOCTATETRAENE CONTAINING DYES AND COMPOSITIONS ILLUMINA CAMBRIDGE LIMITED (GB) 2023-08-24 — — US disclosed
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