SCHEMBL15330693

SCHEMBL15330693

COc1cccc2c(C=O)c(-c3cccc([N+](=O)[O-])c3)[nH]c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
MAPT P10636 4/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
POLB P06746 2/20 0.45
KDM4E B2RXH2 1/20 0.43
ATM Q13315 1/20 0.43
ABCG2 Q9UNQ0 2/20 0.42
NQO2 P16083 1/20 0.42
TUBB4A P04350 2/20 0.42
TUBB P07437 2/20 0.42
TUBA3C P0DPH7 2/20 0.42
TUBA1B P68363 2/20 0.42
TUBA4A P68366 2/20 0.42
TUBB4B P68371 2/20 0.42
TUBB3 Q13509 2/20 0.42
TUBB2A Q13885 2/20 0.42
TUBB8 Q3ZCM7 2/20 0.42
TUBA3E Q6PEY2 2/20 0.42
TUBA1A Q71U36 2/20 0.42

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
SCHEMBL15330378 0.88 TNKS (0.50) ALDH1A1MAPTMEN1KMT2AABCG2
SCHEMBL15333187 0.85 MAPT (0.47) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL15332461 0.82 MAPT (0.45) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL15332265 0.82 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL15331621 0.81 ALDH1A1 (0.51) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL2560581 0.81 ALDH1A1 (0.51) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL15330064 0.81 CTSV (0.54) ALDH1A1MAPTMEN1KMT2ADRD2
SCHEMBL2552009 0.81 MAPT (0.43) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL2556873 0.80 ALDH1A1 (0.50) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL15330423 0.78 ALDH1A1 (0.53) ALDH1A1MAPTMEN1KMT2APOLB

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