SCHEMBL2277116

SCHEMBL2277116

CN(C)C=Nc1ncc[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.38
ALDH1A1 P00352 5/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 2/20 0.34
KDM4E B2RXH2 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPT P10636 3/20 0.33
MAPK1 P28482 2/20 0.33
MEN1 O00255 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
NPC1 O15118 1/20 0.33
HSP90AA1 P07900 1/20 0.33
AGTR1 P30556 1/20 0.33
RAB9A P51151 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
LMNA P02545 1/20 0.32
ALOX15 P16050 1/20 0.32
RECQL P46063 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
SCHEMBL2277112 1.00 L3MBTL1 (0.38) L3MBTL1ALDH1A1SMN1; SMN2GAAKDM4E
SCHEMBL14062519 0.77
SCHEMBL5500536 0.77
SCHEMBL22947098 0.73
SCHEMBL5487957 0.70 MEN1 (0.52) ALDH1A1SMN1; SMN2KDM4EKMT2AMAPT
SCHEMBL11103862 0.70 MEN1 (0.52) ALDH1A1SMN1; SMN2KDM4EKMT2AMAPT
SCHEMBL11107953 0.70 MEN1 (0.52) ALDH1A1SMN1; SMN2KDM4EKMT2AMAPT
SCHEMBL441370 0.69 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2KDM4EKMT2AMAPT
SCHEMBL16547018 0.69 L3MBTL1 (0.35) L3MBTL1GAAKDM4EKMT2AMAPT
SCHEMBL1752174 0.69

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-7998462-B2 Linkers for anchoring targeting ligands KEREOS, INC. (US) 2011-08-16 US disclosed
US-5552427-A ANTITUMOR AGENTS AND ANTICARCINOGENIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-03 US disclosed
EP-0656210-A1 Imidazole derivatives as glutaminose inhibitors Takeda Chemical Industries, Ltd. (JP) 1995-06-07 EP disclosed