SCHEMBL9827518

SCHEMBL9827518

CC(C)(C)OC(=O)CCn1ncc(Cl)c(Cl)c1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 15/20 0.57
▸ HTT P42858 14/20 0.57
▸ NPC1 O15118 9/20 0.57
▸ SMN1; SMN2 Q16637 8/20 0.57
▸ MITF O75030 6/20 0.57
▸ RAB9A P51151 13/20 0.46
▸ NPSR1 Q6W5P4 12/20 0.46
▸ LMNA P02545 10/20 0.46
▸ S1PR4 O95977 4/20 0.46
▸ S1PR1 P21453 4/20 0.46
▸ S1PR2 O95136 3/20 0.46
▸ CYP1A2 P05177 3/20 0.46
▸ CYP2C19 P33261 3/20 0.46
▸ PKM P14618 2/20 0.46
▸ HSP90AA1 P07900 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ HCRTR1 O43613 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ TLR9 Q9NR96 1/20 0.46

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
SCHEMBL24779604 0.86 ALDH1A1 (0.68) ALDH1A1HTTNPC1SMN1; SMN2MITF
SCHEMBL29451993 0.82 ALDH1A1 (0.53) ALDH1A1HTTNPC1SMN1; SMN2MITF
SCHEMBL6405505 0.80 HTT (0.57) ALDH1A1HTTNPC1SMN1; SMN2MITF
SCHEMBL9194366 0.78 HTT (0.55) ALDH1A1HTTNPC1SMN1; SMN2MITF
SCHEMBL20111044 0.76 ALDH1A1 (0.54) ALDH1A1HTTNPC1SMN1; SMN2MITF
SCHEMBL31584986 0.75 KDM4E (0.39) ALDH1A1HTTNPC1SMN1; SMN2MITF
SCHEMBL31735821 0.73 ALDH1A1 (0.54) ALDH1A1HTTNPC1SMN1; SMN2MITF
SCHEMBL9234092 0.73 HTT (0.57) ALDH1A1HTTNPC1SMN1; SMN2MITF
SCHEMBL24779602 0.73 ALDH1A1 (0.64) ALDH1A1HTTNPC1SMN1; SMN2MITF
SCHEMBL14574536 0.72 HTT (0.56) ALDH1A1HTTNPC1SMN1; SMN2MITF

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
EP-0201765-B1 3(2H)PYRIDAZINONE, PROCESS FOR ITS PREPARATION AND ANTI-ALLERGIC AGENT CONTAINING IT NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1991-09-18 — — EP disclosed
US-4892947-A 3(2H)Pyridazinone, process for its preparation and anti-allergic agent containing it NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1990-01-09 — — US disclosed
EP-0201765-A2 3(2H)Pyridazinone, process for its preparation and anti-allergic agent containing it NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1986-11-20 — — EP disclosed
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