SCHEMBL7253191

SCHEMBL7253191

CCS(=O)(=O)Nc1cc(C(C)c2c[nH]cn2)cc(F)c1C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.35
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
BRAF P15056 1/20 0.32
MRGPRX1 Q96LB2 2/20 0.31
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 1/20 0.30
PGR P06401 2/20 0.30
BRD4 O60885 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
SCHEMBL7248142 0.82 MRGPRX1 (0.35) PSIP1ALOX5APFEN1BRAFMRGPRX1
SCHEMBL7251725 0.81 SMN1; SMN2 (0.38) PSIP1MRGPRX1JAK2JAK1TYK2
SCHEMBL7247371 0.80 PGR (0.35) PSIP1BRAFPGRBRD4
SCHEMBL7248504 0.77 PSIP1 (0.37) PSIP1ALOX5APFEN1BRAFMRGPRX1
SCHEMBL7254245 0.75 NR3C1 (0.40) PSIP1MRGPRX1
SCHEMBL7251929 0.75 BRD4 (0.41) JAK2JAK1TYK2JAK3BRD4
SCHEMBL7254725 0.74 HPGD (0.32) PSIP1BRAFJAK1BRD4
SCHEMBL7099135 0.73 ADRA1A (0.43) BRD4
SCHEMBL7254169 0.72
SCHEMBL7254814 0.71 SMN1; SMN2 (0.38) PSIP1JAK2JAK1TYK2JAK3

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