SCHEMBL24067985

SCHEMBL24067985

CCCCONc1ccc2[nH]c3ccc(S(=O)(=O)CCCOP(=O)(O)O)cc3c(=O)c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.37
▸ HPGD P15428 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ HSD17B10 Q99714 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ BRD4 O60885 2/20 0.35
▸ P2RY12 Q9H244 2/20 0.35
▸ TERT O14746 2/20 0.33
▸ POLB P06746 3/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ USP2 O75604 1/20 0.33

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
SCHEMBL24067969 0.88 BRD4 (0.38) ALDH1A1HPGDMAPTLMNATP53
SCHEMBL21889674 0.80 CDK1 (0.34) HSD17B10MEN1KMT2APOLBTDP1
SCHEMBL24067989 0.75 CTSV (0.50) ALDH1A1MAPTLMNANPC1RAB9A
Carbazole SCHEMBL31231412 0.68 GABRP (0.51) ALDH1A1HPGDMAPTLMNAHSD17B10
SCHEMBL31231354 0.64 FDPS (0.47) ALDH1A1HPGDMAPTSMN1; SMN2KDM4E
SCHEMBL22281391 0.63 POLB (0.39) ALDH1A1HPGDMAPTLMNAHSD17B10
SCHEMBL21828697 0.63 CA2 (0.46) MEN1KMT2APOLBTDP1BRAF
Carbazole SCHEMBL31231416 0.60 ALDH1A1 (0.48) ALDH1A1HPGDMAPTHSD17B10RAB9A
SCHEMBL21828656 0.60 CTSV (0.55) ALDH1A1MAPTLMNANPC1RAB9A
SCHEMBL28747383 0.59 LPAR3 (0.82) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210373028-A1 NOVEL FLUORESCENCE DYES AND NOVEL ANALYTICAL PROCESSES FOR GLYCAN ANALYSIS Abberior GmbH (DE) 2021-12-02 — — US disclosed
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