SCHEMBL9527101

SCHEMBL9527101

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.47
KMT2A Q03164 1/20 0.46
POLB P06746 1/20 0.46
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
SIRT6 Q8N6T7 1/20 0.45
BRD4 O60885 3/20 0.44
BRD9 Q9H8M2 2/20 0.44
KAT2B Q92831 2/20 0.44
MAPT P10636 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
HTR1A P08908 2/20 0.43
LMNA P02545 1/20 0.42
HTR7 P34969 1/20 0.42

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
SCHEMBL9527274 0.86 BPTF (0.47) ATMKMT2APOLBSIRT6MAPT
SCHEMBL9528853 0.85 KAT2B (0.60) CNR1CNR2BRD4BRD9KAT2B
SCHEMBL9531572 0.85 KAT2B (0.58) CNR1CNR2BRD4BRD9KAT2B
SCHEMBL27263874 0.82 ATM (0.47) ATMKMT2AMAPTCA12CA1
SCHEMBL9527132 0.82 KAT2B (0.49) CNR1CNR2BRD4BRD9KAT2B
SCHEMBL9527765 0.81 KMT2A (0.53) KMT2ABRD4BRD9KAT2BMAPT
SCHEMBL9527777 0.80 KAT2B (0.57) BRD4BRD9KAT2BMAPTCA12
SCHEMBL9531536 0.77 KCNH2 (0.53) MAPTHTR1ALMNAHTR7
SCHEMBL9527544 0.77 KAT2B (0.56) CNR1CNR2BRD4BRD9KAT2B
SCHEMBL9527047 0.76 BRD4 (0.57) BRD4BRD9KAT2BHTR1A

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