SCHEMBL15329820

SCHEMBL15329820

O=Cc1cn(C2CCCCC2)nc1-c1sccc1Br

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
BTK Q06187 1/20 0.32
PTGS2 P35354 1/20 0.32
PSMB8 P28062 1/20 0.30
PSMB5 P28074 1/20 0.30

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
SCHEMBL15332311 0.99 BTK (0.32) ALDH1A1BTKPTGS2
SCHEMBL15333086 0.74 LMNA (0.38) ALDH1A1PTGS2
SCHEMBL15329616 0.74 PTGS2 (0.31) PTGS2
SCHEMBL15331394 0.72 PTGS2 (0.35) PTGS2
SCHEMBL15331523 0.71 PTGS2 (0.34) PTGS2
SCHEMBL15330207 0.71 LMNA (0.41) ALDH1A1PTGS2
SCHEMBL15329787 0.70 PTGS2 (0.61) ALDH1A1PTGS2
SCHEMBL2557695 0.69 KMT2A (0.54) ALDH1A1PTGS2
SCHEMBL15332377 0.69 LMNA (0.44) ALDH1A1PTGS2
SCHEMBL15331675 0.69 PTGS2 (0.41) ALDH1A1PTGS2

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