SCHEMBL15329595

SCHEMBL15329595

CN(NC(=O)c1ccc(B(O)O)cc1)C(N)=S

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.43
GAA P10253 1/20 0.38
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CHIA Q9BZP6 1/20 0.34
CXCR1 P25024 1/20 0.33
CXCR2 P25025 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33

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
SCHEMBL2477796 0.78 CA1 (0.56) GAAALDH1A1POLB
SCHEMBL2555872 0.73 CA1 (0.59) TRPV1GAAALDH1A1
SCHEMBL1445863 0.70 MPO (0.59) TRPV1ALDH1A1
SCHEMBL247671 0.70 HDAC2 (0.59) TRPV1HDAC6
SCHEMBL21978377 0.70 PARP10 (0.58) HDAC1ALDH1A1
SCHEMBL531807 0.69 TRPV1 (0.50) TRPV1
SCHEMBL3911987 0.68 ALDH1A1 (0.53) GAAHDAC1HDAC6ALDH1A1POLB
SCHEMBL15329597 0.68 RAB9A (0.64) TRPV1GAAALDH1A1POLB
SCHEMBL104764 0.67 PARP10 (0.50) ALDH1A1POLBTDP1
SCHEMBL12154023 0.67 HSP90AA1 (0.70) GAAHDAC1HDAC6ALDH1A1POLB

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