SCHEMBL7778631

SCHEMBL7778631

NCCNC(=O)COCCO

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
RAB9A P51151 1/20 0.32
ACHE P22303 1/20 0.32
ALDH1A1 P00352 2/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAOB P27338 2/20 0.31
GAA P10253 1/20 0.31
CYP1A2 P05177 1/20 0.31
NFKB1 P19838 1/20 0.31
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30
FAAH O00519 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
SCHEMBL7775670 0.89 PAOX (0.37) TSHRKMT2AMEN1ACHEALDH1A1
SCHEMBL14001490 0.85 MEN1 (0.38) TSHRMAPK1KMT2AMEN1ALDH1A1
SCHEMBL7778629 0.84 ALDH1A1 (0.31) TSHRKMT2AMEN1ALDH1A1CYP2C9
SCHEMBL24040342 0.84 CA2 (0.34) TSHRKMT2AMEN1ALDH1A1CYP2C9
SCHEMBL13475343 0.83 TSHR (0.40) TSHRKMT2AMEN1ALDH1A1GAA
SCHEMBL13018276 0.82 GLP1R (0.36) TSHRCYP2C19
SCHEMBL7713617 0.82 ALDH1A1 (0.46) TSHRMAPK1KMT2AMEN1ACHE
SCHEMBL22561224 0.80 ACHE (0.43) TSHRKMT2AMEN1ACHEALDH1A1
SCHEMBL16303440 0.80 TSHR (0.35) TSHRMAPK1KMT2AMEN1RAB9A
SCHEMBL1415972 0.80 TSHR (0.35) TSHRMAPK1KMT2AMEN1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014131892-A1 CELL-PENETRATING OLIGONUCLEOTIDES OLIGOMER SCIENCES AB (SE) 2014-09-04 WO disclosed
US-20140206570-A1 Characterization of biochips containing self-assembled monolayers THE UNIVERSITY OF CHICAGO (US) 2014-07-24 US disclosed
US-20140134642-A1 Characterization of biochips containing self-assembled monolayers THE UNIVERSITY OF CHICAGO (US) 2014-05-15 US disclosed
EP-0733045-B1 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2001-08-16 EP disclosed
EP-0733045-A1 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS ZENECA LIMITED (GB) 1996-09-25 EP disclosed
WO-1995015952-A1 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS ZENECA LIMITED (GB) 1995-06-15 WO disclosed