SCHEMBL9529443

SCHEMBL9529443

CC(C)(N)Cn1ncc(Cl)c(Cl)c1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 15/20 0.59
ALDH1A1 P00352 14/20 0.59
NPC1 O15118 7/20 0.59
SMN1; SMN2 Q16637 6/20 0.59
MITF O75030 6/20 0.59
RAB9A P51151 12/20 0.51
NPSR1 Q6W5P4 11/20 0.51
LMNA P02545 9/20 0.51
MAPT P10636 9/20 0.51
RECQL P46063 1/20 0.51
POLB P06746 3/20 0.49
KMT2A Q03164 3/20 0.49
PKM P14618 2/20 0.49
MEN1 O00255 2/20 0.49
BLM P54132 1/20 0.49
GPR35 Q9HC97 1/20 0.49
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP3A4 P08684 1/20 0.47
S1PR4 O95977 3/20 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
SCHEMBL9372672 0.85 HTT (0.60) HTTALDH1A1NPC1SMN1; SMN2MITF
SCHEMBL9372329 0.82 HTT (0.57) HTTALDH1A1NPC1SMN1; SMN2MITF
SCHEMBL4190041 0.79 HTT (0.55) HTTALDH1A1NPC1SMN1; SMN2MITF
SCHEMBL9372983 0.78 HTT (0.54) HTTALDH1A1NPC1SMN1; SMN2MITF
SCHEMBL980058 0.77 HTT (0.60) HTTALDH1A1NPC1SMN1; SMN2MITF
SCHEMBL15674013 0.76 HTT (0.59) HTTALDH1A1NPC1SMN1; SMN2MITF
SCHEMBL10884770 0.74 HTT (0.53) HTTALDH1A1NPC1SMN1; SMN2MITF
SCHEMBL9234092 0.74 HTT (0.57) HTTALDH1A1NPC1SMN1; SMN2MITF
SCHEMBL7806721 0.73 HTT (0.46) HTTALDH1A1NPC1SMN1; SMN2MITF
SCHEMBL15674046 0.73 HTT (0.58) HTTALDH1A1NPC1SMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0372305-B1 PIPERAZINYLALKYL-3(2H)-PYRIDAZINONES, METHOD FOR THEIR PREPARATION AND THEIR USE AS ANTIHYPERTENSIVE AGENTS Hafslund Nycomed Pharma Aktiengesellschaft (AT) 1993-08-04 EP disclosed
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-5034391-A Piperazinylalkyl-3(2H)-pyridazinones and the use thereof as agents lowering blood pressure CL PHARMA AKTIENGESELLSCHAFT (AT) 1991-07-23 US disclosed
EP-0372305-A1 Piperazinylalkyl-3(2H)-pyridazinones, method for their preparation and their use as antihypertensive agents Hafslund Nycomed Pharma Aktiengesellschaft (AT) 1990-06-13 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