SCHEMBL30044903

SCHEMBL30044903

COc1ccc(/C=C/C(=O)c2c(Cc3ccccc3)c3cc(Cl)ccc3[nH]c2=O)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 9/20 0.48
MEN1 O00255 2/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.47
TUBB1 Q9H4B7 3/20 0.44
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44
TUBA3E Q6PEY2 1/20 0.44
TUBA1A Q71U36 1/20 0.44
TUBA1C Q9BQE3 1/20 0.44
TUBB6 Q9BUF5 1/20 0.44
TUBB2B Q9BVA1 1/20 0.44

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
SCHEMBL23498073 1.00 PADI4 (0.48) PADI4MEN1MAPTKMT2AALDH1A1
SCHEMBL23511000 0.92 MAPT (0.49) PADI4MEN1MAPTKMT2AALDH1A1
SCHEMBL30044873 0.92 MAPT (0.49) PADI4MEN1MAPTKMT2AALDH1A1
SCHEMBL30044283 0.87 MAPK10 (0.58) PADI4MEN1MAPTKMT2AALDH1A1
SCHEMBL25024713 0.87 MAPK10 (0.58) PADI4MEN1MAPTKMT2AALDH1A1
SCHEMBL23510958 0.86 PADI4 (0.56) PADI4MEN1MAPTKMT2AALDH1A1
SCHEMBL30044275 0.86 PADI4 (0.56) PADI4MEN1MAPTKMT2AALDH1A1
SCHEMBL23498216 0.86 MEN1 (0.57) PADI4MEN1MAPTKMT2AALDH1A1
SCHEMBL30043581 0.86 MEN1 (0.57) PADI4MEN1MAPTKMT2AALDH1A1
SCHEMBL23498101 0.85 PADI4 (0.66) PADI4MAPK10ASAH1IKBKBCHUK

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
EP-4073054-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF TUMORS Fondazione Istituto Italiano di Tecnologia (IT) 2022-10-19 EP disclosed