SCHEMBL7807155

SCHEMBL7807155

COc1cc(OC)nc(S(=O)(=O)Cc2ccccc2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TXNRD1 Q16881 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ POLB P06746 1/20 0.49
▸ MAPT P10636 2/20 0.47
▸ TP53 P04637 2/20 0.47
▸ GLA P06280 1/20 0.47
▸ TSHR P16473 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ HTT P42858 2/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ NPC1 O15118 2/20 0.42
▸ MITF O75030 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ PAX8 Q06710 1/20 0.42

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
SCHEMBL10366184 0.91 HTT (0.52) TXNRD1SMN1; SMN2LMNAPOLBGLA
SCHEMBL9762459 0.91 TXNRD1 (0.51) TXNRD1SMN1; SMN2LMNAPOLBMAPT
SCHEMBL9622912 0.79 TXNRD1 (0.55) TXNRD1SMN1; SMN2LMNAMAPTTP53
SCHEMBL6651527 0.77 SMN1; SMN2 (0.56) TXNRD1SMN1; SMN2LMNAMAPTTP53
SCHEMBL18063513 0.76 KMT2A (0.60) TXNRD1SMN1; SMN2POLBMAPTGLA
SCHEMBL1720601 0.75 SMN1; SMN2 (0.56) SMN1; SMN2LMNAMAPTTP53GLA
SCHEMBL10975489 0.73 POLB (0.58) SMN1; SMN2LMNAPOLBMAPTTSHR
SCHEMBL26288630 0.72 KMT2A (0.47) TXNRD1SMN1; SMN2POLBMAPTTSHR
SCHEMBL6651523 0.71 SMN1; SMN2 (0.51) TXNRD1SMN1; SMN2LMNAMAPTTP53
SCHEMBL30215796 0.70 PDE2A (0.71) SMN1; SMN2TSHRHTTKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6056797-A — — None — — JP disclosed
EP-0802193-B1 Process for the preparation of substituted pyrimidines LONZA AG (CH) 2001-10-17 — — EP disclosed
US-5840892-A Process for the preparation of substituted pyrimidines LONZA AG (CH) 1998-11-24 — — US disclosed
EP-0802193-A1 Process for the preparation of substituted pyrimidines LONZA AG (CH) 1997-10-22 — — EP disclosed
JP-H0656797-A OPTICALLY ACTIVE PYRIMIDINYL-OR TRIAZINYL-OXY (OR-THIO) CARBOXYLIC ACID DERIVATIVE, ITS PRODUCTION AND ITS USE AS HERBICIDE OR PLANT GROWTH REGULATOR HOECHST AG 1994-03-01 — — JP disclosed
EP-0562510-A1 Optically active pyrimidinyl- or triazinyl-oxy-(or -thio)-carbonic acid derivatives, processes for their production and their use as herbicides or plant growth regulators HOECHST AKTIENGESELLSCHAFT (DE) 1993-09-29 — — EP disclosed
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