SCHEMBL6696046

SCHEMBL6696046

COc1ccc(/C=C2\C(=O)Nc3c(C#N)cccc32)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 2/20 0.46
ESRRA P11474 5/20 0.45
RET P07949 2/20 0.44
PLK4 O00444 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
DHFR P00374 1/20 0.42
EGFR P00533 1/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41
TUBA1A Q71U36 1/20 0.41
TUBA1C Q9BQE3 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
SCHEMBL6696048 1.00 ERBB2 (0.46) ERBB2ESRRARETPLK4MEN1
SCHEMBL5472632 0.80 MDM2 (0.52) RETMEN1KMT2ACYP3A4NTRK1
SCHEMBL14448950 0.80 MDM2 (0.52) RETMEN1KMT2ACYP3A4NTRK1
SCHEMBL5472626 0.80 MDM2 (0.52) RETMEN1KMT2ACYP3A4NTRK1
SCHEMBL6405476 0.78 ERBB2 (0.71) ERBB2PLK4DHFREGFRCYP3A4
SCHEMBL6405474 0.78 ERBB2 (0.71) ERBB2PLK4DHFREGFRCYP3A4
SCHEMBL6689535 0.77 ESRRA (0.53) ERBB2ESRRARETPLK4DHFR
SCHEMBL6689531 0.77 ESRRA (0.53) ERBB2ESRRARETPLK4DHFR
SCHEMBL6692556 0.74 EGFR (0.43) ERBB2PLK4MEN1KMT2ADHFR
SCHEMBL6692550 0.74 EGFR (0.43) ERBB2PLK4MEN1KMT2ADHFR

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-2004069998-A2 OXINDOLE DERIVATIVES AS ANTIMICROBIAL AGENTS ARROW THERAPEUTICS LIMITED (GB) 2004-08-19 WO disclosed