SCHEMBL9529442

SCHEMBL9529442

CC(N(C)C)n1ncc(Cl)c(Cl)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 12/20 0.40
ALDH1A1 P00352 11/20 0.40
RAB9A P51151 8/20 0.40
SMN1; SMN2 Q16637 8/20 0.40
NPC1 O15118 6/20 0.40
MAPT P10636 5/20 0.40
MITF O75030 5/20 0.40
PAX8 Q06710 4/20 0.40
S1PR4 O95977 4/20 0.40
S1PR1 P21453 4/20 0.40
THRB P10828 3/20 0.40
XBP1 P17861 1/20 0.40
NPSR1 Q6W5P4 7/20 0.39
LMNA P02545 4/20 0.39
KMT2A Q03164 2/20 0.39
RECQL P46063 1/20 0.39
CNR2 P34972 1/20 0.38
BPTF Q12830 2/20 0.37
POLB P06746 4/20 0.36
GPR35 Q9HC97 2/20 0.36

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
SCHEMBL9528037 0.82 HTT (0.40) HTTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL9234085 0.82 BPTF (0.48) HTTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL9531592 0.79 HTT (0.44) HTTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL14501195 0.75 HTT (0.44) HTTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL29451369 0.75 ALDH1A1 (0.44) HTTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL29451492 0.75 ALDH1A1 (0.44) HTTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL29451526 0.75 ALDH1A1 (0.44) HTTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL29451320 0.73 HTT (0.43) HTTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL9953649 0.72 RAB9A (0.51) HTTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL9954004 0.72 RAB9A (0.51) HTTALDH1A1RAB9ASMN1; SMN2NPC1

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-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
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