SCHEMBL6673323

SCHEMBL6673323

Nc1sc2c(c1C(=O)c1ccc3ccccc3c1)CCN(Cc1ccc(F)cc1)C2

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 9/20 0.60
KMT2A Q03164 6/20 0.54
MEN1 O00255 5/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
PTPN2 P17706 1/20 0.52
PTPN1 P18031 1/20 0.52
USP2 O75604 1/20 0.49
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
POLB P06746 1/20 0.45
PPARG P37231 1/20 0.45
NR2E3 Q9Y5X4 1/20 0.45
NCOR2 Q9Y618 1/20 0.45

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
SCHEMBL5678867 0.92 ADORA1 (0.71) ADORA1KMT2AMEN1LMNAMAPT
SCHEMBL5675440 0.91 ADORA1 (0.61) ADORA1KMT2AMEN1LMNAMAPT
SCHEMBL5675327 0.87 ADORA1 (0.53) ADORA1KMT2AMEN1LMNAMAPT
SCHEMBL5680009 0.85 ADORA1 (0.55) ADORA1KMT2AMEN1LMNAMAPT
SCHEMBL5676512 0.84 ADORA1 (0.54) ADORA1KMT2AMEN1LMNAMAPT
SCHEMBL5712917 0.80 ADORA1 (0.70) ADORA1KMT2AMEN1LMNAMAPT
SCHEMBL5712840 0.79 ADORA1 (0.76) ADORA1KMT2AMEN1LMNAMAPT
SCHEMBL6993348 0.79 ADORA1 (0.71) ADORA1KMT2AMEN1LMNAMAPT
SCHEMBL138362 0.78 ADORA1 (0.74) ADORA1KMT2AMEN1LMNAMAPT
SCHEMBL7001600 0.78 ADORA1 (0.67) ADORA1KMT2AMEN1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6727258-B2 E.G., KETONE DERIVATIVES OF THIENOTHIOPYRANS, BENZOTHIOPHENES, THIENOPYRIDINES, CYCLOPENTATHIOPHENES, THIOPHENYLNAPHTHALENES, THIOPHENYLBENZOFURANS, ETC. KING PHARMACEUTICAL RESEARCH & DEVELOPMENT, INC. 2004-04-27 US disclosed