SCHEMBL15330581

SCHEMBL15330581

CN(Cc1cc(Br)cs1)c1ncc(C=O)s1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
KDM4E B2RXH2 2/20 0.58
TDP1 Q9NUW8 1/20 0.32
MAPT P10636 2/20 0.32
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
GAA P10253 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL15330237 0.75 ALDH1A1 (0.31) ALDH1A1KDM4ETSHRHSD17B10
SCHEMBL15330194 0.74 KDM4E (0.30) ALDH1A1KDM4E
SCHEMBL7230926 0.70 ALDH1A1 (0.57) ALDH1A1KDM4ETDP1MAPTHSD17B10
SCHEMBL31482100 0.70 ALDH1A1 (0.69) ALDH1A1KDM4ETDP1MAPTKMT2A
SCHEMBL2558971 0.69 HSP90AA1 (0.31)
SCHEMBL29957280 0.69 CYP2A6 (0.44) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL29952071 0.68 SLC6A4 (0.38) ALDH1A1KDM4ETDP1TSHRHSD17B10
SCHEMBL15331914 0.68 NMT1 (0.32) NPC1RAB9ASMN1; SMN2
SCHEMBL29953414 0.67 GAA (0.50) ALDH1A1TSHRGAA
SCHEMBL4838205 0.66 ALDH1A1 (0.53) ALDH1A1KDM4ETDP1MAPT

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