SCHEMBL5712917

SCHEMBL5712917

Nc1sc2c(c1C(=O)c1cccc(CF)c1)CCN(Cc1ccccc1)C2

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 7/20 0.70
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
LMNA P02545 1/20 0.62
MAPT P10636 1/20 0.62
CRHBP P24387 1/20 0.55
CRHR2 Q13324 1/20 0.55
PTPN2 P17706 1/20 0.51
PTPN1 P18031 1/20 0.51
KDM4E B2RXH2 1/20 0.51
POLB P06746 2/20 0.50
GAA P10253 1/20 0.50
PPARG P37231 1/20 0.49
NR2E3 Q9Y5X4 1/20 0.49
NCOR2 Q9Y618 1/20 0.49

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
SCHEMBL5712960 0.90 GAA (0.63) ADORA1MEN1KMT2ALMNAMAPT
SCHEMBL7773976 0.87 ADORA1 (0.73) ADORA1MEN1KMT2ALMNAMAPT
SCHEMBL5678867 0.85 ADORA1 (0.71) ADORA1MEN1KMT2ALMNAMAPT
SCHEMBL5712840 0.83 ADORA1 (0.76) ADORA1MEN1KMT2ALMNAMAPT
SCHEMBL1787090 0.83 ADORA1 (1.00) ADORA1MEN1KMT2ALMNAMAPT
SCHEMBL138362 0.82 ADORA1 (0.74) ADORA1MEN1KMT2ALMNAMAPT
SCHEMBL7001600 0.82 ADORA1 (0.67) ADORA1MEN1KMT2ALMNAMAPT
SCHEMBL5676492 0.82 ADORA1 (0.72) ADORA1MEN1KMT2ALMNAMAPT
SCHEMBL5678919 0.81 ADORA1 (0.65) ADORA1MEN1KMT2ALMNAMAPT
SCHEMBL6993348 0.81 ADORA1 (0.71) ADORA1MEN1KMT2ALMNAMAPT

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
EP-1671973-A2 Allosteric adenosine receptor modulators King Pharmaceuticals Research and Development, Inc. (US) 2006-06-21 EP disclosed
EP-1025106-B1 ALLOSTERIC ADENOSINE RECEPTOR MODULATORS KING PHARMACEUTICALS RES & DEV (US) 2006-06-21 EP disclosed
US-6323214-B1 CARDIOVASCULAR DISORDERS, NERVOUS SYSTEM DISORDERS AND ANALGESICS MEDCO RESEARCH, INC 2001-11-27 US disclosed
US-6194449-B1 ADMINISTERING A BENZOYLTHIOPHENE COMPOUND; ANTIHYPOXIC, ANTIISCHEMIC AGENTS MEDCO CORP. 2001-02-27 US disclosed
US-6177444-B1 ANTIISCHEMIC AGENTS; ANTIARRHYTHMIA AGENTS MEDCO CORP. 2001-01-23 US disclosed
US-5939432-A Thiophenes useful for modulating the adenosine receptor MEDCO RESEARCH, INC. (US) 1999-08-17 US disclosed