SCHEMBL842002

SCHEMBL842002

CN(C)C(=N)NC(=N)NCc1cc[c]cc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
KMT2A Q03164 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
EPHX2 P34913 1/20 0.30
NR1H4 Q96RI1 1/20 0.30

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
SCHEMBL13584425 0.83 KMT2A (0.46) HPGDL3MBTL1KMT2ACA1CA2
Hydrochloric Acid SCHEMBL13584530 0.82 KMT2A (0.45) HPGDL3MBTL1KMT2ACA1CA2
SCHEMBL13562878 0.81 PPIB (0.41) TSHRCA1CA2EPHX2NR1H4
SCHEMBL14868712 0.81 MEN1 (0.47) HPGDKMT2A
SCHEMBL13563661 0.79 NPC1 (0.34) TSHRL3MBTL1KMT2ACA1CA2
SCHEMBL13563558 0.78 ALDH1A1 (0.53) HPGDL3MBTL1KMT2AEPHX2NR1H4
SCHEMBL13562843 0.76 KMT2A (0.34) TSHRL3MBTL1KMT2AEPHX2NR1H4
SCHEMBL14868385 0.75 ERCC1 (0.48) TSHRCA1CA2
SCHEMBL14872575 0.75 CAPN1 (0.32)
SCHEMBL14868596 0.75 GRM5 (0.37)

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
EP-2432761-A1 TREATMENT OF MUSCLE DISEASE CHARACTERIZED BY INSULIN RESISTANCE Ottawa Hospital Research Institute (CA) 2012-03-28 EP disclosed
WO-2010132982-A1 TREATMENT OF MUSCLE DISEASE CHARACTERIZED BY INSULIN RESISTANCE OTTAWA HOSPITAL RESEARCH INSTITUTE (CA) 2010-11-25 WO disclosed