SCHEMBL15330237

SCHEMBL15330237

Cc1nc(N(C)Cc2cc(Br)cs2)sc1C=O

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL15330194 0.86 KDM4E (0.30) ALDH1A1KDM4E
SCHEMBL15330581 0.75 ALDH1A1 (0.58) ALDH1A1KDM4ETSHRHSD17B10
SCHEMBL15331914 0.69 NMT1 (0.32)
SCHEMBL29957280 0.68 CYP2A6 (0.44) ALDH1A1
SCHEMBL29952071 0.67 SLC6A4 (0.38) ALDH1A1KDM4ETSHRHSD17B10
SCHEMBL2561890 0.67 HSP90AA1 (0.36) ALDH1A1KDM4ETSHRHSD17B10
SCHEMBL2561276 0.67 ALDH1A3 (0.41) ALDH1A1HSD17B10
SCHEMBL29953414 0.66 GAA (0.50) ALDH1A1TSHR
SCHEMBL2558971 0.66 HSP90AA1 (0.31)
SCHEMBL15332056 0.65 ALDH1A1 (0.38) ALDH1A1KDM4ETSHRHSD17B10

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