SCHEMBL7656196

SCHEMBL7656196

CC1=C(C(=O)O)C(c2ccc(F)c(F)c2)NC(=O)N1C

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 6/20 0.57
ADRA1D P25100 4/20 0.54
ADRA1B P35368 4/20 0.54
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
TP53 P04637 1/20 0.50
GAA P10253 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.46
ADORA2B P29275 4/20 0.44
ATM Q13315 1/20 0.41

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
SCHEMBL7667964 1.00 ADRA1A (0.57) ADRA1AADRA1DADRA1BMEN1KMT2A
SCHEMBL7667781 1.00 ADRA1A (0.57) ADRA1AADRA1DADRA1BMEN1KMT2A
SCHEMBL10113415 0.86 TP53 (0.70) ADRA1AADRA1DADRA1BMEN1KMT2A
SCHEMBL7661429 0.80 ADRA1A (0.45) ADRA1AADRA1DADRA1BMEN1KMT2A
SCHEMBL7655667 0.80 ADRA1A (0.45) ADRA1AADRA1DADRA1BMEN1KMT2A
SCHEMBL6348283 0.80 MEN1 (0.55) MEN1KMT2ATP53GAAL3MBTL1
SCHEMBL7930709 0.77 ADRA1A (0.55) ADRA1AADRA1DADRA1BKMT2ALMNA
SCHEMBL7930713 0.77 ADRA1A (0.55) ADRA1AADRA1DADRA1BKMT2ALMNA
SCHEMBL2570938 0.77 USP2 (0.52) TP53GAAL3MBTL1
SCHEMBL7660049 0.77 USP2 (0.52) TP53GAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6339090-B1 FOR THERAPY OF BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. 2002-01-15 US claimed
WO-2000006565-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2000-02-10 WO claimed
US-6339090-B1 FOR THERAPY OF BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. 2002-01-15 US disclosed
WO-2000006565-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2000-02-10 WO disclosed