SCHEMBL9726673

SCHEMBL9726673

CCCOc1cc(CNc2cnn(CC)c(=O)c2Cl)ccc1OC

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.46
BPTF Q12830 2/20 0.46
PDE5A O76074 4/20 0.44
BRD9 Q9H8M2 3/20 0.43
KAT2B Q92831 2/20 0.43
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.39
STAT1 P42224 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL9726489 0.92 ALDH1A1 (0.46) BRD4BPTFPDE5ABRD9KAT2B
SCHEMBL9726550 0.89 PDE5A (0.41) BRD4PDE5ABRD9POLBKMT2A
SCHEMBL9726545 0.88 PDE5A (0.41) PDE5APOLBKMT2AKDM4EALDH1A1
SCHEMBL9726466 0.88 PDE5A (0.41) PDE5APOLBKMT2AKDM4EALDH1A1
SCHEMBL9726487 0.86 BRD4 (0.50) BRD4BPTFPDE5ABRD9KAT2B
SCHEMBL9726609 0.86 BPTF (0.46) BRD4BPTFBRD9KAT2BPOLB
SCHEMBL9829518 0.86 HTT (0.43) BRD4BPTFPDE5ABRD9KAT2B
SCHEMBL9726619 0.85 BRD4 (0.49) BRD4BPTFPDE5ABRD9KAT2B
SCHEMBL9726415 0.85 BRD4 (0.49) BRD4BPTFPDE5ABRD9KAT2B
SCHEMBL9726665 0.85 BRD4 (0.48) BRD4BPTFPDE5ABRD9KAT2B

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