SCHEMBL22282398

SCHEMBL22282398

O=c1c2cc(SN(CCOP(O)O)CCOP(O)O)ccc2[nH]c2ccc([N+](=O)[O-])cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSV O60911 4/20 0.48
▸ CTSL P07711 4/20 0.48
▸ ALDH1A1 P00352 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HSP90AA1 P07900 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ CA12 O43570 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ KCNH2 Q12809 1/20 0.40
▸ PARP1 P09874 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ NPY1R P25929 1/20 0.37
▸ NPY2R P49146 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
SCHEMBL22282410 0.85 CTSV (0.54) CTSVCTSLALDH1A1MEN1KMT2A
SCHEMBL22282399 0.85 MAPT (0.43) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL21828698 0.73 CTSV (0.55) CTSVCTSLALDH1A1MEN1KMT2A
SCHEMBL22282408 0.70 MAPT (0.47) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL22282414 0.67 MEN1 (0.37) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL21828651 0.67 CTSV (1.00) CTSVCTSLALDH1A1MEN1KMT2A
SCHEMBL29519210 0.67 CTSV (1.00) CTSVCTSLALDH1A1MEN1KMT2A
SCHEMBL21828647 0.66 CTSV (0.70) CTSVCTSLALDH1A1MEN1KMT2A
SCHEMBL5336435 0.66 CTSV (0.70) CTSVCTSLALDH1A1MEN1KMT2A
SCHEMBL31473181 0.66 CTSV (0.70) CTSVCTSLALDH1A1MEN1KMT2A

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
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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