SCHEMBL11535264

SCHEMBL11535264

N=C(N)NCCCC(N)CF

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALOX15 P16050 1/20 0.37
NPY4R P50391 3/20 0.31
NPY1R P25929 2/20 0.31
NPY2R P49146 2/20 0.31
NPY5R Q15761 2/20 0.31
TSHR P16473 1/20 0.31
HIF1A Q16665 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
Hydrochloric Acid SCHEMBL9586007 0.98 MEN1 (0.39) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL29404058 0.82 MEN1 (0.41) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL6545309 0.82 MEN1 (0.41) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL20822004 0.82 MEN1 (0.41) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL26614349 0.82 MEN1 (0.41) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL6545308 0.80 ALOX15 (0.44) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL18822222 0.80 MEN1 (0.40) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL7158448 0.80 MEN1 (0.40) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL30158908 0.80 MEN1 (0.40) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL171399 0.80 MEN1 (0.40) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15

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