SCHEMBL9010846

SCHEMBL9010846

O=S(=O)(O)Oc1cc2c(Cl)c(Br)ccc2[nH]1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.33
PTPN11 Q06124 4/20 0.33
SLC22A6 Q4U2R8 1/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CDK1 P06493 2/20 0.32
CCNA2 P20248 2/20 0.32
CDK2 P24941 2/20 0.32
CA9 Q16790 2/20 0.32
MEN1 O00255 1/20 0.32
CCNT1 O60563 1/20 0.32
CDK4 P11802 1/20 0.32
CCNB1 P14635 1/20 0.32
CCND1 P24385 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK7 P50613 1/20 0.32
CDK9 P50750 1/20 0.32
CCNH P51946 1/20 0.32
MNAT1 P51948 1/20 0.32

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
SCHEMBL9010844 0.88 DAO (0.32) DAOCA12CA1CA2CDK1
SCHEMBL79536 0.77 DAO (0.33) DAOAR
SCHEMBL79535 0.76 DAO (0.32) DAO
SCHEMBL29377568 0.73 DAO (0.31) DAO
SCHEMBL27788007 0.71 AR (0.40) DAOCA12CA9MEN1KMT2A
SCHEMBL4084856 0.70 CA2 (0.36) CA12CA1CA2CA9
SCHEMBL4084854 0.70 TDP1 (0.38) CA12CA1CA2CA9MEN1
SCHEMBL1843066 0.69 SLC22A6 (0.49) SLC22A6
SCHEMBL9441965 0.69 RHEB (0.33) DAOCA1CA2CDK2MEN1
SCHEMBL19332262 0.68 CYP1A2 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0641351-B1 ENZYMATIC ANALYSIS USING SUBSTRATES THAT YIELD FLUORESCENT PRECIPITATES MOLECULAR PROBES INC (US) 1996-10-23 EP disclosed
US-5443986-A Enzymatic analysis using substrates that yield fluorescent precipitates MOLECULAR PROBES, INC. (US) 1995-08-22 US disclosed
EP-0641351-A1 ENZYMATIC ANALYSIS USING SUBSTRATES THAT YIELD FLUORESCENT PRECIPITATES. MOLECULAR PROBES INC (US) 1995-03-08 EP disclosed
US-5316906-A Fluorescent dyes for substrates MOLECULAR PROBES, INC. (US) 1994-05-31 US disclosed
WO-1993004077-A1 ENZYMATIC ANALYSIS USING SUBSTRATES THAT YIELD FLUORESCENT PRECIPITATES MOLECULAR PROBES, INC. (US) 1993-03-04 WO disclosed