SCHEMBL20577412

SCHEMBL20577412

Cc1cc(C)c(I)c(CBr)c1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.32
KDM4E B2RXH2 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL8049708 0.79 RAPGEF4 (0.33) RAPGEF4KDM4EL3MBTL1
SCHEMBL8635370 0.79 KMT2A (0.39) RAPGEF4KDM4EL3MBTL1
SCHEMBL15003249 0.78 POLB (0.40)
SCHEMBL532742 0.77 RAPGEF4 (0.34) RAPGEF4
SCHEMBL2290449 0.74 ALDH1A1 (0.33) RAPGEF4KDM4EL3MBTL1
SCHEMBL760815 0.74 RAPGEF4 (0.45) RAPGEF4KDM4E
SCHEMBL7456451 0.73 RAPGEF4 (0.39) RAPGEF4L3MBTL1
SCHEMBL14682851 0.73 ALDH1A1 (0.46) KDM4EL3MBTL1
SCHEMBL11840512 0.72 ACHE (0.35)
SCHEMBL1109760 0.72 RAPGEF4 (0.43) RAPGEF4KDM4E

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
EP-3630779-A1 ANTIBIOTIC RESISTANCE BREAKERS Kings College London (GB) 2020-04-08 EP disclosed
WO-2018220365-A1 ANTIBIOTIC RESISTANCE BREAKERS KING'S COLLEGE LONDON (GB) 2018-12-06 WO disclosed