SCHEMBL15330736

SCHEMBL15330736

COc1ccc(C(C)C)cc1-c1nc(C=O)c[nH]1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.40
ALDH1A1 P00352 5/20 0.38
USP7 Q93009 2/20 0.37
FYN P06241 1/20 0.37
HDAC4 P56524 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.34
CTSA P10619 7/20 0.34
TYR P14679 1/20 0.33

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
SCHEMBL2556390 0.83 ERN1 (0.47) ERN1ALDH1A1SMN1; SMN2POLBHPGD
SCHEMBL2557528 0.83 KDM4E (0.44) ALDH1A1HDAC4HDAC8SMN1; SMN2POLB
SCHEMBL15332234 0.82 AMY1A (0.49) ALDH1A1SMN1; SMN2POLB
SCHEMBL15332409 0.78 DCUN1D1 (0.48) ERN1ALDH1A1SMN1; SMN2HPGD
SCHEMBL2558953 0.77 PRMT1 (0.40) ERN1ALDH1A1SMN1; SMN2POLBHPGD
SCHEMBL2556371 0.75 TYR (0.43) ERN1ALDH1A1HDAC8HPGDTYR
SCHEMBL2554665 0.75 ALDH1A1 (0.46) ERN1ALDH1A1HPGD
SCHEMBL15330739 0.74 KDM4E (0.49) ERN1ALDH1A1SMN1; SMN2HPGD
SCHEMBL15333373 0.74 ESR1 (0.44) ERN1ALDH1A1POLB
SCHEMBL2561480 0.72 FGFR1 (0.45) ERN1ALDH1A1SMN1; SMN2HPGD

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