SCHEMBL29951669

SCHEMBL29951669

CC(=O)c1c[nH]c2cc(C(=O)O)ccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.57
HASPIN Q8TF76 1/20 0.48
SPR P35270 1/20 0.47
PTPN1 P18031 1/20 0.46
HSD17B10 Q99714 3/20 0.45
KDM4E B2RXH2 3/20 0.45
NR4A2 P43354 2/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 3/20 0.45
ENPP2 Q13822 1/20 0.45
TUBB1 Q9H4B7 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NHERF1 O14745 1/20 0.44
TP53 P04637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 1/20 0.43
HTR7 P34969 1/20 0.43
PARP1 P09874 1/20 0.43
NOTUM Q6P988 1/20 0.43

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
SCHEMBL17025018 1.00 PBRM1 (0.57) PBRM1HASPINSPRPTPN1HSD17B10
SCHEMBL6417880 0.90 PBRM1 (0.61) PBRM1HASPINHSD17B10KDM4ENR4A2
SCHEMBL6419348 0.90 F7 (0.51) SPRPTPN1HSD17B10KDM4ENR4A2
SCHEMBL29952494 0.87 PBRM1 (0.57) PBRM1HASPINPTPN1HSD17B10KDM4E
SCHEMBL3929500 0.87 PBRM1 (0.57) PBRM1HASPINPTPN1HSD17B10KDM4E
SCHEMBL1608195 0.83 ALDH1A1 (0.57) SPRPTPN1HSD17B10KDM4ENR4A2
SCHEMBL2493105 0.83 NPC1 (0.64) PBRM1HSD17B10NR4A2ALDH1A1HPGD
SCHEMBL6418497 0.83 NR4A2 (0.68) NR4A2TUBB1NPC1MAPT
SCHEMBL30697204 0.83 NPC1 (0.64) PBRM1HSD17B10NR4A2ALDH1A1HPGD
SCHEMBL695797 0.81 KDM4E (0.48) SPRPTPN1KDM4ENR4A2ALDH1A1

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 1 patent. 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