SCHEMBL9867304

SCHEMBL9867304

Cc1ccc(N2N=C3c4cc(OCC(C)N(C)C)ccc4CCC3CC2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.35
MAOB P27338 3/20 0.35
TOP1 P11387 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.32
ACHE P22303 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL9865917 0.90 MAOA (0.34) MAOAMAOBSMN1; SMN2MEN1KMT2A
SCHEMBL9602515 0.90 ALDH1A1 (0.33) TOP1GAAACHE
SCHEMBL9602191 0.84 DRD2 (0.32) MAOBTOP1GAA
Fumaric Acid SCHEMBL9866359 0.84 ALDH1A1 (0.33)
Maleic Acid SCHEMBL9866351 0.84 ALDH1A1 (0.33)
SCHEMBL9866052 0.84 MCHR1 (0.34) MAOAMAOBTOP1SMN1; SMN2MEN1
Fumaric Acid SCHEMBL9602984 0.84 MAPT (0.33) SMN1; SMN2MEN1KMT2AGAAHPGD
Fumaric Acid SCHEMBL9603164 0.84 KDM4E (0.35) GAA
Fumaric Acid SCHEMBL9602985 0.84 MAPT (0.33) SMN1; SMN2MEN1KMT2AGAAHPGD
Fumaric Acid SCHEMBL9603160 0.84 KDM4E (0.35) GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5045541-A Immunodeficiency disorders YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-09-03 US disclosed
EP-0351435-A1 FUSED PYRIDAZINE COMPOUNDS AND THEIR MEDICINAL USES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1990-01-24 EP disclosed