SCHEMBL11069984

SCHEMBL11069984

c1ccc(CNCc2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BCHE P06276 9/20 1.00
MAPK1 P28482 1/20 0.71
MEN1 O00255 1/20 0.67
KMT2A Q03164 1/20 0.67

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
SCHEMBL7760590 1.00 BCHE (1.00) BCHEMAPK1MEN1KMT2A
SCHEMBL9080542 0.96 BCHE (0.92) BCHEMAPK1
SCHEMBL12909374 0.89 BCHE (0.80) BCHEMAPK1MEN1KMT2A
SCHEMBL894215 0.89 BCHE (0.85) BCHEMEN1KMT2A
SCHEMBL2587466 0.88 BCHE (1.00) BCHEMEN1KMT2A
SCHEMBL3026043 0.86 BCHE (0.75) BCHEMEN1KMT2A
Hydrochloric Acid SCHEMBL4456317 0.86 BCHE (0.97) BCHEMEN1KMT2A
SCHEMBL10609652 0.85 LMNA (0.75) BCHE
SCHEMBL339813 0.85 LMNA (0.82) BCHE
SCHEMBL3031875 0.85 BCHE (0.73) BCHEMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4435565-A ENZYME INHIBITORS BEECHAM GROUP LIMITED (GB) 1984-03-06 US disclosed
US-4359473-A α-Amino deoxy clavulanic acid antibacterial agents BEECHAM GROUP LIMITED (GB) 1982-11-16 US disclosed