SCHEMBL9425848

SCHEMBL9425848

CC(NC(=NC#N)Nc1ccc(NS(C)(=O)=O)nc1)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.38
BCR P11274 2/20 0.38
KCNJ11 Q14654 16/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL9425969 0.80 BRAF (0.36) KCNJ11MEN1LMNAPOLBKMT2A
SCHEMBL9425967 0.80 BRAF (0.36) KCNJ11MEN1LMNAPOLBKMT2A
SCHEMBL7361551 0.79 TACR3 (0.40) SMN1; SMN2
SCHEMBL7361549 0.79 TACR3 (0.40) SMN1; SMN2
SCHEMBL9425856 0.79 KCNJ11 (0.57) KCNJ11LMNA
Sulfuric Acid SCHEMBL10447918 0.76 ABCC9 (0.47) KCNJ11MEN1LMNAKMT2A
SCHEMBL10446808 0.75 KCNJ11 (0.41) KCNJ11MEN1LMNAPOLBKMT2A
SCHEMBL9456838 0.74 ABCC9 (0.51) KCNJ11MEN1LMNAKMT2A
Naminidil SCHEMBL7639234 0.73 ABCC9 (0.56) KCNJ11MEN1LMNAPOLBKMT2A
Pinacidil Anhydrous SCHEMBL2131822 0.73 ABCC9 (0.56) KCNJ11MEN1LMNAPOLBKMT2A

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-5371086-A Circulatory disorders side effect reduction THE GREEN CROSS CORPORATION (JP) 1994-12-06 US disclosed
US-5262415-A FOR TREATING DISEASES OF THE CIRCULATORY SYSTEM THE GREEN CROSS CORPORATION (JP) 1993-11-16 US disclosed
EP-0503627-A1 Aminopyridine compounds THE GREEN CROSS CORPORATION (JP) 1992-09-16 EP disclosed