SCHEMBL29956767

SCHEMBL29956767

COc1c(O)ccc(C=O)c1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.58
CA2 P00918 1/20 0.58
ERN1 O75460 7/20 0.49
TRIM24 O15164 3/20 0.49
TRIM33 Q9UPN9 3/20 0.49
TYR P14679 2/20 0.49
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
TUBB6 Q9BUF5 1/20 0.41
TUBB2B Q9BVA1 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
SCHEMBL13873895 1.00 CA1 (0.58) CA1CA2ERN1TRIM24TRIM33
SCHEMBL1003414 0.82 CA1 (0.69) CA1CA2ERN1TRIM24TRIM33
SCHEMBL29459741 0.82 CA1 (0.69) CA1CA2ERN1TRIM24TRIM33
SCHEMBL29459651 0.81 CA1 (0.61) CA1CA2ERN1TRIM24TRIM33
SCHEMBL1005010 0.81 CA1 (0.61) CA1CA2ERN1TRIM24TRIM33
SCHEMBL16097528 0.81 ALDH1A1 (0.45) CA1CA2ERN1TRIM24TRIM33
SCHEMBL11396901 0.79 CYP19A1 (0.47) CA1CA2ERN1TUBB4ATUBB
SCHEMBL1633951 0.79 CA1 (0.42) CA1CA2ERN1TRIM24TRIM33
SCHEMBL1361643 0.79 CA1 (0.59) CA1CA2ERN1TRIM24TRIM33
SCHEMBL7939012 0.79 CA1 (0.59) CA1CA2ERN1TRIM24TRIM33

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed