SCHEMBL7248476

SCHEMBL7248476

CCS(=O)(=O)Nc1cc(F)cc(Cc2c[nH]cn2)c1C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRAF P15056 5/20 0.34
PSIP1 O75475 1/20 0.34
MRGPRX1 Q96LB2 6/20 0.34
CYP2C9 P11712 1/20 0.33
PDE10A Q9Y233 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
HTT P42858 1/20 0.32
MAPK14 Q16539 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL7097637 0.88 BRD4 (0.32) BRAFPSIP1MRGPRX1CYP2C9PDE10A
SCHEMBL7103450 0.86 BRD4 (0.31) PDE10AHTT
SCHEMBL7248504 0.81 PSIP1 (0.37) BRAFPSIP1MRGPRX1CYP2C9JAK2
SCHEMBL7248295 0.81 PGR (0.37) BRAFPSIP1HTTMAPK14LMNA
SCHEMBL7248382 0.81 NR3C1 (0.41) PSIP1MRGPRX1CYP2C9PDE10AHTT
SCHEMBL7248995 0.79 BRD4 (0.40) PSIP1CYP2C9PDE10AJAK2JAK1
SCHEMBL7101637 0.77 NR3C1 (0.39) PDE10A
SCHEMBL7103402 0.75 MRGPRX1 (0.34) BRAFMRGPRX1PDE10AJAK2JAK1
SCHEMBL7098136 0.75 PSIP1 (0.43) BRAFPSIP1MRGPRX1JAK2JAK1
SCHEMBL7248142 0.74 MRGPRX1 (0.35) BRAFPSIP1MRGPRX1JAK2JAK1

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-6503935-B1 Treating urinary incontinence or retrograde ejaculation ABBOTT LABORATORIES 2003-01-07 US disclosed
EP-1102754-A1 IMIDAZOLES AND RELATED COMPOUNDS AS ALPHA-1A AGONISTS ABBOTT LABORATORIES (US) 2001-05-30 EP disclosed
WO-2000007997-A1 IMIDAZOLES AND RELATED COMPOUNDS AS α1A AGONISTS ABBOTT LABORATORIES (US) 2000-02-17 WO disclosed