SCHEMBL10880238

SCHEMBL10880238

CC(Oc1ccc(Oc2cnc3ccccc3n2)cc1)C(=O)Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.58
▸ LMNA P02545 3/20 0.58
▸ CYP1A2 P05177 3/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ MAPT P10636 3/20 0.58
▸ HPGD P15428 2/20 0.58
▸ NPSR1 Q6W5P4 2/20 0.58
▸ CYP3A4 P08684 2/20 0.58
▸ TP53 P04637 1/20 0.58
▸ ALOX15 P16050 1/20 0.58
▸ NFKB1 P19838 1/20 0.58
▸ HIF1A Q16665 1/20 0.58
▸ GMNN O75496 1/20 0.58
▸ APEX1 P27695 1/20 0.58
▸ PMP22 Q01453 1/20 0.58
▸ HTT P42858 10/20 0.58
▸ MEN1 O00255 5/20 0.58
▸ KMT2A Q03164 5/20 0.58
▸ RAB9A P51151 3/20 0.58
▸ L3MBTL1 Q9Y468 3/20 0.58

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
SCHEMBL27259661 0.88 HTT (0.61) ALDH1A1LMNACYP1A2SMN1; SMN2MAPT
SCHEMBL10848429 0.88 HTT (0.61) ALDH1A1LMNACYP1A2SMN1; SMN2MAPT
SCHEMBL10885983 0.86 HTT (0.60) ALDH1A1LMNACYP1A2SMN1; SMN2MAPT
SCHEMBL10906680 0.86 ALDH1A1 (0.73) ALDH1A1LMNACYP1A2SMN1; SMN2MAPT
SCHEMBL28344338 0.85 ALDH1A1 (0.72) ALDH1A1LMNACYP1A2SMN1; SMN2MAPT
SCHEMBL7083043 0.85 ALDH1A1 (0.72) ALDH1A1LMNACYP1A2SMN1; SMN2MAPT
SCHEMBL31186228 0.85 ALDH1A1 (0.72) ALDH1A1LMNACYP1A2SMN1; SMN2MAPT
SCHEMBL10709969 0.85 ALDH1A1 (0.62) ALDH1A1LMNACYP1A2SMN1; SMN2MAPT
SCHEMBL9586772 0.84 ALDH1A1 (0.56) ALDH1A1LMNACYP1A2SMN1; SMN2MAPT
SCHEMBL9587990 0.84 ALDH1A1 (0.56) ALDH1A1LMNACYP1A2SMN1; SMN2MAPT

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
US-4609396-A GRASSES IN BROADLEAF CROPS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1986-09-02 — — US disclosed
EP-0042750-B1 QUINOXALINYLOXY ETHERS AS SELECTIVE WEED CONTROL AGENTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1986-04-30 — — EP disclosed
EP-0042750-A2 Quinoxalinyloxy ethers as selective weed control agents E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-12-30 — — EP disclosed
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