SCHEMBL9010844

SCHEMBL9010844

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

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CA12 O43570 2/20 0.30
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CDK1 P06493 2/20 0.30
CCNA2 P20248 2/20 0.30
CDK2 P24941 2/20 0.30
CA9 Q16790 2/20 0.30
CCNT1 O60563 1/20 0.30
CDK4 P11802 1/20 0.30
CCNB1 P14635 1/20 0.30
CCND1 P24385 1/20 0.30
CCNE1 P24864 1/20 0.30

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
SCHEMBL9010846 0.88 DAO (0.33) DAOMEN1KMT2ACA12CA1
SCHEMBL79535 0.78 DAO (0.32) DAO
SCHEMBL79536 0.76 DAO (0.33) DAO
SCHEMBL29377568 0.76 DAO (0.31) DAO
SCHEMBL4084854 0.72 TDP1 (0.38) MEN1KMT2AALDH1A1MAPTCA12
SCHEMBL9441965 0.71 RHEB (0.33) DAOMEN1KMT2AALDH1A1HPGD
SCHEMBL4084856 0.70 CA2 (0.36) ALDH1A1GAAMAPTHPGDCA12
SCHEMBL27788007 0.69 AR (0.40) DAOMEN1KMT2AALDH1A1GAA
SCHEMBL19332262 0.67 CYP1A2 (0.44) ALDH1A1GAAHPGD
SCHEMBL1843064 0.67 SLC22A6 (0.34) CA1CA2CA9

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