SCHEMBL25997472

SCHEMBL25997472

CCCNc1ccc2cc(-c3nc4cc(C(=O)O)ccc4o3)c(=O)oc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPSE Q9Y251 14/20 0.49
▸ TP53 P04637 4/20 0.42
▸ MAPT P10636 4/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ CASP7 P55210 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ MIF P14174 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ NFKB1 P19838 1/20 0.40

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
SCHEMBL22371415 0.87 HSPD1 (0.40) HPSETP53MAPTSMN1; SMN2NPC1
SCHEMBL31135859 0.87 HSPD1 (0.40) HPSETP53MAPTSMN1; SMN2NPC1
SCHEMBL31135851 0.86 ELANE (0.45) HPSETP53MAPTRAB9APOLB
SCHEMBL22371423 0.86 ELANE (0.45) HPSETP53MAPTRAB9APOLB
SCHEMBL26073482 0.85 AGPAT2 (0.49) TP53MAPTSMN1; SMN2NPC1HPGD
SCHEMBL26869917 0.83 KDM4E (0.50) HPSETP53MAPTSMN1; SMN2NPC1
SCHEMBL29761153 0.83 ALDH1A1 (0.60) TP53MAPTSMN1; SMN2NPC1HPGD
SCHEMBL17445577 0.83 ALDH1A1 (0.60) TP53MAPTSMN1; SMN2NPC1HPGD
SCHEMBL22371457 0.82 MAPT (0.53) HPSETP53MAPTSMN1; SMN2NPC1
SCHEMBL25997471 0.80 ITGB3 (0.37) HPSETP53MAPTNPC1RAB9A

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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