SCHEMBL9726376

SCHEMBL9726376

CCCN(CCC)C(=O)c1ccc(CNc2cnn(C(C)C)c(=O)c2Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 3/20 0.47
BRD4 O60885 4/20 0.46
BRD9 Q9H8M2 3/20 0.46
KAT2B Q92831 3/20 0.45
PDE9A O76083 2/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
CNR2 P34972 1/20 0.37
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
KDM4E B2RXH2 1/20 0.37
RAB9A P51151 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MLYCD O95822 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 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
SCHEMBL9726637 0.84 BPTF (0.54) BPTFBRD4BRD9KAT2BPDE9A
SCHEMBL10599280 0.79 BRD4 (0.70) BPTFBRD4BRD9KAT2BPDE9A
SCHEMBL9726410 0.78 BRD4 (0.70) BPTFBRD4BRD9KAT2BPDE9A
SCHEMBL10601786 0.77 BPTF (0.53) BPTFBRD4BRD9KAT2BPDE9A
SCHEMBL10603023 0.76 BPTF (0.55) BPTFBRD4BRD9KAT2BPDE9A
SCHEMBL9726428 0.72 BRD4 (0.56) BPTFBRD4BRD9KAT2BPDE9A
SCHEMBL9726598 0.72 BPTF (0.52) BPTFBRD4BRD9KAT2BPDE9A
SCHEMBL9726869 0.71 BPTF (0.49) BPTFBRD4BRD9KAT2BPDE9A
SCHEMBL10601213 0.71 BRD4 (0.73) BPTFBRD4BRD9KAT2BPDE9A
SCHEMBL9726461 0.71 BRD4 (0.49) BPTFBRD4BRD9KAT2BSMN1; SMN2

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 disclosed
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 disclosed
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 disclosed