SCHEMBL28041515

SCHEMBL28041515

O=S(=O)(O)Nc1ccc2ccccc2c1.[NaH]

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.65
CA1 P00915 1/20 0.65
SMN1; SMN2 Q16637 3/20 0.61
LMNA P02545 3/20 0.61
PKM P14618 1/20 0.51
PKLR P30613 1/20 0.51
AKR1C3 P42330 1/20 0.51
ATM Q13315 1/20 0.50
ALDH1A1 P00352 4/20 0.49
KMT2A Q03164 4/20 0.49
MAPT P10636 3/20 0.49
MEN1 O00255 3/20 0.49
HPGD P15428 2/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
GAA P10253 1/20 0.49
SNCA P37840 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
PGR P06401 1/20 0.47

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
SCHEMBL3202501 0.98 CA2 (0.67) CA2CA1SMN1; SMN2LMNAPKM
Questiomycin B SCHEMBL10417825 0.84 CA2 (0.59) CA2CA1SMN1; SMN2LMNAPKM
SCHEMBL171701 0.78 CA1 (0.67) CA2CA1SMN1; SMN2LMNAPKM
SCHEMBL30186176 0.78 CA1 (0.67) CA2CA1SMN1; SMN2LMNAPKM
SCHEMBL18638492 0.78 CA2 (0.67) CA2CA1SMN1; SMN2LMNAPKM
SCHEMBL29625693 0.78 CA1 (0.67) CA2CA1SMN1; SMN2LMNAPKM
SCHEMBL27718465 0.78 CA2 (1.00) CA2CA1SMN1; SMN2LMNAPKM
SCHEMBL17227593 0.76 CA1 (0.62) CA2CA1SMN1; SMN2LMNAPKM
SCHEMBL14571961 0.76 CA2 (0.62) CA2CA1SMN1; SMN2LMNAPKM
SCHEMBL2614387 0.76 SMN1; SMN2 (1.00) CA2CA1SMN1; SMN2LMNAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105037670-B High-effective water reducing agent and preparation method thereof 江苏苏博特新材料股份有限公司 2017-04-12 CN claimed
CN-105037670-A High-effective water reducing agent and preparation method thereof JIANGSU SUBOTE NEW MAT CO LTD 2015-11-11 CN claimed
CN-105037670-B High-effective water reducing agent and preparation method thereof 江苏苏博特新材料股份有限公司 2017-04-12 CN disclosed
CN-105037670-A High-effective water reducing agent and preparation method thereof JIANGSU SUBOTE NEW MAT CO LTD 2015-11-11 CN disclosed