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Sugi Predict / Compounds / SCHEMBL11535671

SCHEMBL11535671

SCHEMBL11535671

N=C(N)NCCCC(NC(=O)CN)C(F)F

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPY4R P50391 2/20 0.31
▸ NPY1R P25929 1/20 0.31
▸ NPY2R P49146 1/20 0.31
▸ NPY5R Q15761 1/20 0.31

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
SCHEMBL11536898 0.83 ALOX15 (0.34) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL1627262 0.78 NPY4R (0.43) ALOX15NPY4RNPY1RNPY2RNPY5R
SCHEMBL10357194 0.77 DPP7 (0.33) —
SCHEMBL10357197 0.77 DPP7 (0.33) —
SCHEMBL187696 0.77 C3AR1 (0.45) NPY4RNPY1RNPY2RNPY5R
SCHEMBL2116832 0.77 C3AR1 (0.45) NPY4RNPY1RNPY2RNPY5R
SCHEMBL29476474 0.77 C3AR1 (0.45) NPY4RNPY1RNPY2RNPY5R
Hydrochloric Acid SCHEMBL7412361 0.76 TLR2 (0.34) —
SCHEMBL1882655 0.76 ALOX15 (0.33) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL4587702 0.76 C3AR1 (0.44) NPY4RNPY1RNPY2RNPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4134918-A ENZYME INHIBITORS, ANTIBODY INHIBITORS MERRELL TORAUDE ET COMPAGNIE (FR) 1979-01-16 — — US disclosed
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