SCHEMBL9527274

SCHEMBL9527274

Cn1ncc(Cl)c(NCCN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BPTF Q12830 1/20 0.47
▸ KMT2A Q03164 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ SIRT6 Q8N6T7 1/20 0.45
▸ LMNA P02545 2/20 0.45
▸ MAPT P10636 4/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ HTR1A P08908 2/20 0.43
▸ HTR7 P34969 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ MTOR P42345 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL9527101 0.86 ATM (0.47) KMT2APOLBSIRT6LMNAMAPT
SCHEMBL9529694 0.85 DRD2 (0.54) BPTFLMNAMAPTHTR1A
SCHEMBL9527024 0.85 BPTF (0.53) BPTFKMT2APOLBHTR1AHTR7
SCHEMBL9529009 0.82 BPTF (0.54) BPTFHTR1AMAPK1
SCHEMBL9527290 0.81 KCNH2 (0.51) BPTFKMT2AMAPTMAPK1
SCHEMBL9531700 0.78 BPTF (0.46) BPTFKMT2ALMNAMAPTSMN1; SMN2
SCHEMBL27263874 0.78 ATM (0.47) KMT2ALMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL9531418 0.77 KCNH2 (0.53) LMNAMAPTSMN1; SMN2ALDH1A1HTR1A
SCHEMBL9527111 0.77 BPTF (0.51) BPTFPOLBALDH1A1HTR1AHTR7
SCHEMBL9531556 0.76 ADRA1A (0.53) BPTFHTR1AHTR7

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
Send feedback