SCHEMBL9726652

SCHEMBL9726652

CCCOc1cc(CNc2cnn(C(C)C)c(=O)c2Br)ccc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 3/20 0.38
HTT P42858 1/20 0.38
PDE1A P54750 2/20 0.38
PDE1B Q01064 2/20 0.38
PDE1C Q14123 2/20 0.38
PDE9A O76083 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
APAF1 O14727 1/20 0.37
TSHR P16473 1/20 0.37
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GAA P10253 1/20 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
SCHEMBL9726861 0.89 POLB (0.41) THRBMEN1POLBKMT2ALMNA
SCHEMBL9726609 0.89 BPTF (0.46) THRBMEN1POLBKMT2ALMNA
SCHEMBL9726545 0.86 PDE5A (0.41) THRBMEN1POLBKMT2ALMNA
SCHEMBL9726397 0.81 KDM4E (0.45) THRBMEN1POLBKMT2ALMNA
SCHEMBL10599611 0.80 BPTF (0.47) THRBMEN1POLBKMT2ALMNA
SCHEMBL9726540 0.80 KDM4E (0.44) THRBMEN1POLBKMT2ALMNA
SCHEMBL9726814 0.79 PDE9A (0.57) MEN1KMT2APDE1APDE1BPDE1C
SCHEMBL9726598 0.79 BPTF (0.52) POLBKMT2ALMNAPDE9ASMN1; SMN2
SCHEMBL9827490 0.78 KMT2A (0.49) MEN1POLBKMT2ALMNANPSR1
SCHEMBL9726529 0.77 PDE9A (0.45) KMT2APDE1APDE1BPDE1CPDE9A

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
US-5098900-A Reducing contractions in smooth muscles NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1992-03-24 US claimed
EP-0186817-B1 3(2H)PYRIDAZINONE, PROCESS FOR ITS PREPARATION AND ANTI-ALLERGIC AGENT CONTAINING IT NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1989-08-02 EP claimed
EP-0186817-A1 3(2H)pyridazinone, process for its preparation and anti-allergic agent containing it NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1986-07-09 EP claimed