SCHEMBL9537006

SCHEMBL9537006

C=CCOc1cccc([N+](=O)[O-])c1NS(=O)(=O)c1ncn(-c2nc(Cl)cc(OC)n2)n1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DNMT1 P26358 1/20 0.35
▸ CCR6 P51684 1/20 0.35
▸ CTDSP1 Q9GZU7 1/20 0.35
▸ TXNRD1 Q16881 6/20 0.35
▸ ALDH1A1 P00352 5/20 0.32
▸ LMNA P02545 1/20 0.32
▸ SLC40A1 Q9NP59 1/20 0.32
▸ POLB P06746 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ RAB9A P51151 1/20 0.31
▸ NR1I2 O75469 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ MYD88 Q99836 1/20 0.31

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
SCHEMBL9637967 0.82 MYD88 (0.34) TXNRD1ALDH1A1SLC40A1POLBMEN1
SCHEMBL10465851 0.71 HTT (0.34) ALDH1A1LMNAHTT
SCHEMBL9637992 0.69 TXNRD1 (0.41) TXNRD1ALDH1A1LMNASLC40A1MEN1
SCHEMBL11236624 0.67 RAB9A (0.46) ALDH1A1LMNAPOLBMEN1MAPT
SCHEMBL12006023 0.65 RAB9A (0.46) ALDH1A1POLBMEN1MAPTKMT2A
SCHEMBL7670876 0.64 RAB9A (0.51) ALDH1A1LMNAPOLBMEN1MAPT
SCHEMBL8351301 0.62 ADRA2B (0.40) ALDH1A1LMNASLC40A1MEN1KMT2A
SCHEMBL11249170 0.62 KMT2A (0.47) ALDH1A1LMNAPOLBMAPTKMT2A
SCHEMBL9870388 0.61 TSHR (0.55) ALDH1A1LMNAPOLBMEN1MAPT
SCHEMBL11226908 0.61 TDP1 (0.53) ALDH1A1LMNAPOLBMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993005653-A1 SYNERGISTIC HERBICIDAL COMPOSITIONS SCHERING AKTIENGESELLSCHAFT (DE) 1993-04-01 — — WO claimed
WO-1993005653-A1 SYNERGISTIC HERBICIDAL COMPOSITIONS SCHERING AKTIENGESELLSCHAFT (DE) 1993-04-01 — — WO disclosed
WO-1993005653-A1 SYNERGISTIC HERBICIDAL COMPOSITIONS SCHERING AKTIENGESELLSCHAFT (DE) 1993-04-01 — — WO disclosed
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