SCHEMBL9587990

SCHEMBL9587990

CC(Oc1ccc(Oc2cnc3cc(Br)ccc3n2)cc1)C(=O)Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.56
▸ LMNA P02545 4/20 0.56
▸ MAPT P10636 3/20 0.56
▸ CYP1A2 P05177 3/20 0.56
▸ HPGD P15428 2/20 0.56
▸ NPSR1 Q6W5P4 2/20 0.56
▸ CYP3A4 P08684 2/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ TP53 P04637 1/20 0.56
▸ ALOX15 P16050 1/20 0.56
▸ NFKB1 P19838 1/20 0.56
▸ HIF1A Q16665 1/20 0.56
▸ GMNN O75496 1/20 0.56
▸ APEX1 P27695 1/20 0.56
▸ PMP22 Q01453 1/20 0.56
▸ HTT P42858 8/20 0.42
▸ L3MBTL1 Q9Y468 4/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40

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
SCHEMBL10971032 0.90 ALDH1A1 (0.54) ALDH1A1LMNAMAPTCYP1A2HPGD
SCHEMBL11310987 0.88 MAPT (0.53) ALDH1A1LMNAMAPTCYP1A2HPGD
SCHEMBL31186228 0.87 ALDH1A1 (0.72) ALDH1A1LMNAMAPTCYP1A2HPGD
SCHEMBL28344338 0.87 ALDH1A1 (0.72) ALDH1A1LMNAMAPTCYP1A2HPGD
SCHEMBL7083043 0.87 ALDH1A1 (0.72) ALDH1A1LMNAMAPTCYP1A2HPGD
SCHEMBL9586772 0.86 ALDH1A1 (0.56) ALDH1A1LMNAMAPTCYP1A2HPGD
SCHEMBL30735548 0.85 ALDH1A1 (0.60) ALDH1A1LMNAMAPTCYP1A2HPGD
SCHEMBL30946287 0.85 ALDH1A1 (0.60) ALDH1A1LMNAMAPTCYP1A2HPGD
SCHEMBL27259702 0.85 ALDH1A1 (0.60) ALDH1A1LMNAMAPTCYP1A2HPGD
SCHEMBL10709969 0.85 ALDH1A1 (0.62) ALDH1A1LMNAMAPTCYP1A2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5250690-A Selective killing of grassy weeds DOWELANCO (US) 1993-10-05 — — US disclosed
EP-0205821-A1 Haloalkoxy anilide derivatives of 2-(4-heterocyclic oxyphenoxy)-alkanoic acids and their use as herbicides THE DOW CHEMICAL COMPANY (US) 1986-12-30 — — EP disclosed
Send feedback