SCHEMBL7248142

SCHEMBL7248142

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

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MRGPRX1 Q96LB2 5/20 0.35
BRAF P15056 5/20 0.33
PSIP1 O75475 1/20 0.33
BRD4 O60885 1/20 0.32
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 1/20 0.30
ALOX5AP P20292 1/20 0.30
FEN1 P39748 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
SCHEMBL7254245 0.82 NR3C1 (0.40) MRGPRX1PSIP1
SCHEMBL7247371 0.82 PGR (0.35) BRAFPSIP1BRD4
SCHEMBL7253191 0.82 PSIP1 (0.35) MRGPRX1BRAFPSIP1BRD4JAK2
SCHEMBL7251929 0.80 BRD4 (0.41) BRD4JAK2JAK1TYK2JAK3
SCHEMBL7246525 0.75 BRD4 (0.32) BRD4
SCHEMBL7254649 0.74
SCHEMBL7248476 0.74 BRAF (0.34) MRGPRX1BRAFPSIP1JAK2JAK1
SCHEMBL7252662 0.74 MAPT (0.39) BRAFBRD4JAK2TYK2JAK3
SCHEMBL7251725 0.74 SMN1; SMN2 (0.38) MRGPRX1PSIP1BRD4JAK2JAK1
SCHEMBL7254725 0.74 HPGD (0.32) BRAFPSIP1BRD4JAK1

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