SCHEMBL15330862

SCHEMBL15330862

COc1cccc2c(C=O)c(-c3ccc(Cl)cc3)[nH]c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
TNKS O95271 1/20 0.46
TNKS2 Q9H2K2 1/20 0.46
PARP2 Q9UGN5 1/20 0.46
NQO2 P16083 1/20 0.45
TUBB4A P04350 6/20 0.44
TUBB P07437 6/20 0.44
TUBA3C P0DPH7 6/20 0.44
TUBA1B P68363 6/20 0.44
TUBA4A P68366 6/20 0.44
TUBB4B P68371 6/20 0.44
TUBB3 Q13509 6/20 0.44
TUBB2A Q13885 6/20 0.44
TUBB8 Q3ZCM7 6/20 0.44
TUBA3E Q6PEY2 6/20 0.44
TUBA1A Q71U36 6/20 0.44
TUBA1C Q9BQE3 6/20 0.44
TUBB6 Q9BUF5 6/20 0.44
TUBB2B Q9BVA1 6/20 0.44
TUBB1 Q9H4B7 6/20 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
SCHEMBL15332034 0.88 ALDH1A1 (0.54) ALDH1A1TNKSTNKS2PARP2NQO2
SCHEMBL15331314 0.88 ALDH1A1 (0.54) ALDH1A1TNKSTNKS2NQO2TUBB4A
SCHEMBL15331621 0.87 ALDH1A1 (0.51) ALDH1A1NQO2TUBB4ATUBBTUBA3C
SCHEMBL15332538 0.87 ALDH1A1 (0.51) ALDH1A1NQO2TUBB4ATUBBTUBA3C
SCHEMBL15332984 0.85 ALDH1A1 (0.51) ALDH1A1TNKSNQO2TUBB4ATUBB
SCHEMBL2556873 0.84 ALDH1A1 (0.50) ALDH1A1TNKSTNKS2PARP2NQO2
SCHEMBL15330378 0.83 TNKS (0.50) ALDH1A1TNKSTNKS2PARP2NQO2
SCHEMBL5635400 0.82 TNKS (0.43) TNKSTNKS2PARP2KDM4EGAA
SCHEMBL15331721 0.82 DYRK1A (0.44) ALDH1A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL15330423 0.82 ALDH1A1 (0.53) ALDH1A1TNKSTNKS2PARP2NQO2

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 5 patents. 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
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed