SCHEMBL7248504

SCHEMBL7248504

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.37
BRAF P15056 3/20 0.32
CYP2C9 P11712 2/20 0.32
CYP3A4 P08684 1/20 0.32
JAK1 P23458 5/20 0.31
JAK2 O60674 2/20 0.31
TYK2 P29597 2/20 0.31
JAK3 P52333 2/20 0.31
PGR P06401 2/20 0.31
BRD4 O60885 1/20 0.31
ALOX5AP P20292 2/20 0.31
FEN1 P39748 2/20 0.31
ADRA2A P08913 1/20 0.31
ADRA1A P35348 1/20 0.31
MRGPRX1 Q96LB2 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
SCHEMBL7098136 0.84 PSIP1 (0.43) PSIP1BRAFJAK1JAK2TYK2
SCHEMBL7248476 0.81 BRAF (0.34) PSIP1BRAFCYP2C9JAK1JAK2
SCHEMBL7105179 0.81 HPGD (0.39) PSIP1JAK1JAK2TYK2JAK3
SCHEMBL7248295 0.79 PGR (0.37) PSIP1BRAFPGRBRD4ADRA2A
SCHEMBL7097637 0.78 BRD4 (0.32) PSIP1BRAFCYP2C9BRD4MRGPRX1
SCHEMBL7097248 0.77 S100A9 (0.37) PSIP1JAK1JAK2TYK2JAK3
SCHEMBL7253191 0.77 PSIP1 (0.35) PSIP1BRAFJAK1JAK2TYK2
SCHEMBL7103450 0.76 BRD4 (0.31) BRD4
SCHEMBL7248995 0.74 BRD4 (0.40) PSIP1CYP2C9JAK1JAK2TYK2
SCHEMBL7248382 0.73 NR3C1 (0.41) PSIP1CYP2C9ADRA2AADRA1AMRGPRX1

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