SCHEMBL24987993

SCHEMBL24987993

Bc1cc(B)c(N)c(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
CA1 P00915 4/20 0.36
CA2 P00918 4/20 0.36
CA9 Q16790 4/20 0.36
CA3 P07451 1/20 0.36
GSK3B P49841 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 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
SCHEMBL19372998 0.79 GAA (0.43) GAAMAPTCA1CA2CA9
SCHEMBL22674780 0.69 GAA (0.34) GAAMAPT
SCHEMBL14535948 0.68
SCHEMBL14310822 0.68 ALDH1A1 (0.67) ALDH1A1CYP3A4
SCHEMBL12951219 0.66 GAA (0.32) GAAMAPT
SCHEMBL19373325 0.63
SCHEMBL10053914 0.63
SCHEMBL12165264 0.63 TSHR (0.35)
SCHEMBL14390592 0.63 GAA (0.33) GAAMAPT
SCHEMBL5527813 0.61 MAPT (0.56) GAAMAPTCA1CA2CA9

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
EP-4130014-A1 DEUTERATED OXOPHENYLARSINE COMPOUND AND USE THEREOF Nuo-Beta Pharmaceutical Technology (Shanghai) Co., Ltd. (CN) 2023-02-08 EP disclosed