SCHEMBL15330286

SCHEMBL15330286

CC(C)S(=O)(=O)Nc1cccc(B(O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.45
TRPV1 Q8NER1 1/20 0.41
NLRP3 Q96P20 1/20 0.41
BRPF1 P55201 1/20 0.40
MAP1LC3B Q9GZQ8 1/20 0.39
MAP1LC3A Q9H492 1/20 0.39
ENPP2 Q13822 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
PARP1 P09874 1/20 0.39
AAK1 Q2M2I8 1/20 0.38
BRD4 O60885 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GRIA2 P42262 1/20 0.38

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
SCHEMBL173028 0.81 ALDH1A1 (0.56) NLRP3ENPP2SMN1; SMN2BRD4ALDH1A1
SCHEMBL519364 0.79 NLRP3 (0.45) NLRP3SMN1; SMN2LMNABRD4
SCHEMBL18412742 0.78 ALDH1A1 (0.51) KDM1ABRPF1SMN1; SMN2ALDH1A1
SCHEMBL23191109 0.78 ENPP2 (0.42) TRPV1NLRP3ENPP2ALDH1A1KDM4E
SCHEMBL20963122 0.78 HSD17B2 (0.54) KDM1ANLRP3BRPF1MAP1LC3BMAP1LC3A
SCHEMBL6666 0.77 HTT (0.59) TRPV1NLRP3SMN1; SMN2BRD4ALDH1A1
SCHEMBL29955257 0.77 HTT (0.59) TRPV1NLRP3SMN1; SMN2BRD4ALDH1A1
SCHEMBL13468554 0.76 HPGD (0.51) KDM1ABRPF1SMN1; SMN2LMNAALDH1A1
SCHEMBL519912 0.75 AURKA (0.48) NLRP3MAP1LC3BSMN1; SMN2BRD4
SCHEMBL22222881 0.75 KDM1A (0.48) KDM1ABRPF1MAP1LC3BMAP1LC3ASMN1; SMN2

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