SCHEMBL17127693

SCHEMBL17127693

CCS(=O)(=O)NC(=O)Cc1ccc(Br)cc1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.66
ERBB2 P04626 9/20 0.66
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
KDM4E B2RXH2 1/20 0.50
GLA P06280 1/20 0.50
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL17127746 0.84 EGFR (0.68) EGFRERBB2KMT2AMEN1L3MBTL1
SCHEMBL19007030 0.80 EGFR (0.62) EGFRERBB2KMT2AMEN1L3MBTL1
SCHEMBL19006931 0.77 EGFR (0.55) EGFRERBB2KMT2AMEN1L3MBTL1
SCHEMBL4764012 0.77 KMT2A (0.65) EGFRERBB2KMT2AMEN1L3MBTL1
SCHEMBL3324450 0.76 KMT2A (0.59) EGFRERBB2KMT2AMEN1L3MBTL1
SCHEMBL7990884 0.75 OGG1 (0.55) EGFRKMT2AMEN1L3MBTL1KDM4E
SCHEMBL4774229 0.74 L3MBTL1 (0.69) EGFRERBB2KMT2AMEN1L3MBTL1
SCHEMBL3568649 0.73 KMT2A (0.56) EGFRERBB2KMT2AMEN1L3MBTL1
SCHEMBL3978340 0.72 EGFR (0.42) EGFRERBB2
SCHEMBL14744474 0.72 RORC (0.71) KMT2AMEN1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015148854-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY (US) 2015-10-01 WO disclosed