SCHEMBL5812968

SCHEMBL5812968

CCOC(=O)c1[nH]c(-c2cccs2)cc1N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.57
ALDH1A1 P00352 9/20 0.52
MAPT P10636 5/20 0.52
GAA P10253 4/20 0.52
KEAP1 Q14145 1/20 0.52
HDAC3 O15379 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC2 Q92769 2/20 0.48
KDM4E B2RXH2 7/20 0.46
NPC1 O15118 3/20 0.43
PARP1 P09874 1/20 0.43
TP53 P04637 2/20 0.43
POLB P06746 1/20 0.43
PTGER2 P43116 1/20 0.43
HPGD P15428 3/20 0.42
CASP1 P29466 1/20 0.42
MEN1 O00255 3/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HSD17B10 Q99714 2/20 0.42

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
SCHEMBL18529248 0.86 KMT2A (0.58) KMT2AALDH1A1MAPTGAAKEAP1
SCHEMBL18529240 0.79 PTGER2 (0.54) KMT2AALDH1A1MAPTGAAKEAP1
SCHEMBL5775657 0.79 ALDH1A1 (0.52) KMT2AALDH1A1MAPTGAAKDM4E
SCHEMBL5773315 0.76 ALDH1A1 (0.50) KMT2AALDH1A1MAPTGAAKDM4E
SCHEMBL2748256 0.75 LMNA (0.54) KMT2AALDH1A1MAPTGAAKDM4E
SCHEMBL2749321 0.74 ALDH1A1 (0.50) KMT2AALDH1A1MAPTGAAKDM4E
SCHEMBL5776076 0.74 GRM6 (0.50) KMT2AALDH1A1MAPTGAAKDM4E
SCHEMBL21264058 0.74 MAPT (0.54) KMT2AALDH1A1MAPTGAAKDM4E
SCHEMBL5774019 0.74 MAPT (0.54) KMT2AALDH1A1MAPTGAAKDM4E
SCHEMBL5771002 0.74 GCGR (0.55) KMT2AALDH1A1MAPTGAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1054887-B1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS AMGEN INC (US) 2006-04-12 EP disclosed
US-6583154-B1 Neuropeptide Y antagonist; pyrrolo-(3,2-b)pyridines and pyrrolo-(3,2-d)pyrimidines AMGEN INC. 2003-06-24 US disclosed
US-6187777-B1 PYRROLO(3,2-D)PYRIMIDINE DERIVATIVES; NEUROPEPTIDE Y AND CORTICOTROPIN RELEASING FACTOR MODULATORS; DIETETICS; ANTIDIABETIC, ANTIINFLAMMATORY, AND ANTITUMOR AGENTS AMGEN INC. 2001-02-13 US disclosed
EP-1054887-A1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS Amgen Inc. (US) 2000-11-29 EP disclosed
WO-1999040091-A1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS AMGEN INC. (US) 1999-08-12 WO disclosed