SCHEMBL22281390

SCHEMBL22281390

Cn1c2ccc(N)cc2c(=O)c2cc(S(=O)(=O)N(CCOP(=O)(O)O)CCOP(=O)(O)O)ccc21

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.38
▸ POLB P06746 2/20 0.36
▸ TP53 P04637 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ VCAM1 P19320 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ USP2 O75604 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL22281391 0.83 POLB (0.39) GAAKDM4EPOLBLMNAVCAM1
SCHEMBL21889674 0.65 CDK1 (0.34) GAAPOLBMEN1KMT2AHSD17B10
SCHEMBL20855010 0.65 PIK3CG (0.47) KDM4ETP53LMNAHTTALDH1A1
SCHEMBL28179893 0.64 NPC1 (0.71) GAAKDM4EPOLBMAPK1HTT
SCHEMBL3181705 0.64 VCAM1 (0.52) KDM4ELMNAMAPK1VCAM1HTT
SCHEMBL19598935 0.63 PKM (0.55) TP53LMNAHTTALDH1A1HPGD
SCHEMBL22282414 0.63 MEN1 (0.37) MEN1KMT2ANPC1RAB9A
SCHEMBL29558921 0.62 PIK3CG (0.47) GAATP53LMNAHTTMEN1
SCHEMBL54882 0.62 PIK3CG (0.47) GAATP53LMNAHTTMEN1
SCHEMBL29433546 0.61 KDM4E (0.50) GAAKDM4EPOLBMAPK1HTT

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-20220026434-A1 ADVANCED METHODS FOR AUTOMATED HIGH-PERFORMANCE IDENTIFICATION OF CARBOHYDRATES AND CARBOHYDRATE MIXTURE COMPOSITION PATTERNS AND SYSTEMS THEREFORE AS WELL AS METHODS FOR CALIBRATION OF MULTI WAVELENGTH FLUORESCENCE DETECTION SYSTEMS THEREFORE, BASED ON NEW FLUORESCENT DYES MAX-PLANCK-GESELLSCHAFT ZUR FORDUNG DER WISSENSCHAFTEN E.V. (DE) 2022-01-27 — — US disclosed
WO-2020151799-A1 ADVANCED METHODS FOR AUTOMATED HIGH-PERFORMANCE IDENTIFICATION OF CARBOHYDRATES AND CARBOHYDRATE MIXTURE COMPOSITION PATTERNS AND SYSTEMS THEREFORE AS WELL AS METHODS FOR CALIBRATION OF MULTI WAVELENGTH FLUORESCENCE DETECTION SYSTEMS THEREFORE, BASED ON NEW FLUORESCENT DYES MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2020-07-30 — — WO disclosed
WO-2020151804-A1 SULFONATED 2(7)-AMINOACRIDONE AND 1-AMINOPYRENE DYES AND THEIR USE AS FLUORESCENT TAGS, IN PARTICULAR FOR CARBOHYDRATE ANALYSIS Max-Planck-Gesellschaft zur Förderung der Wissenschaften e. V. (DE) 2020-07-30 — — WO disclosed
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