SCHEMBL19976019

SCHEMBL19976019

CBCc1cc(F)ccc1B(O)O

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 1/20 0.36
CXCR2 P25025 1/20 0.36
ENPP2 Q13822 1/20 0.31
ORAI1 Q96D31 1/20 0.30
ORAI2 Q96SN7 1/20 0.30
ORAI3 Q9BRQ5 1/20 0.30
TRPV6 Q9H1D0 1/20 0.30
LIPG Q9Y5X9 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
SCHEMBL29519062 0.79 CXCR2 (0.39) CXCR1CXCR2ENPP2ORAI1ORAI2
SCHEMBL15780079 0.79 CXCR1 (0.41) CXCR1CXCR2LIPGSMN1; SMN2
SCHEMBL456808 0.79 CXCR2 (0.39) CXCR1CXCR2ENPP2ORAI1ORAI2
SCHEMBL19150350 0.77 CXCR1 (0.38) CXCR1CXCR2ENPP2ORAI1ORAI2
SCHEMBL9938058 0.77 MPO (0.41) CXCR1CXCR2ENPP2
SCHEMBL8859850 0.76 PSEN1 (0.40)
Hydrochloric Acid SCHEMBL3769431 0.76 MPO (0.40) CXCR1CXCR2
SCHEMBL31758459 0.74 SLC6A4 (0.47) CXCR1CXCR2SMN1; SMN2
SCHEMBL18037330 0.74 ENPP2 (0.38) CXCR1CXCR2ENPP2ORAI1ORAI2
SCHEMBL13197054 0.74 GABRA1 (0.38) CXCR1CXCR2SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9920085-B2 Boronic acid conjugates of oligonucleotide analogues SAREPTA THERAPEUTICS, INC. (US) 2018-03-20 US disclosed