SCHEMBL31619084

SCHEMBL31619084

O=C(O)c1cc(CBr)n[nH]1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.46
HCAR3 P49019 6/20 0.45
HCAR2 Q8TDS4 1/20 0.44
ALPL P05186 10/20 0.43
CA12 O43570 5/20 0.43
CA9 Q16790 2/20 0.42
RPA1 P27694 1/20 0.42
PIN1 Q13526 1/20 0.41

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
SCHEMBL16763221 0.83 HCAR3 (0.50) TP53HCAR3HCAR2ALPLCA12
SCHEMBL26054148 0.82 TP53 (0.47) TP53HCAR3HCAR2ALPLCA12
SCHEMBL9700649 0.80 ALPL (0.46) TP53HCAR3HCAR2ALPLCA12
SCHEMBL1431995 0.80 ALPL (0.54) TP53HCAR3HCAR2ALPLCA12
SCHEMBL6110959 0.80 ALPL (0.46) TP53HCAR3HCAR2ALPLCA12
SCHEMBL10429633 0.77 TP53 (0.43) TP53HCAR3HCAR2ALPLCA12
SCHEMBL6110152 0.77 HCAR3 (0.45) TP53HCAR3HCAR2ALPLCA12
SCHEMBL6109448 0.77 HCAR3 (0.45) TP53HCAR3HCAR2ALPLCA12
SCHEMBL1092 0.77 HCAR3 (0.54) TP53HCAR3HCAR2ALPLCA12
SCHEMBL2888926 0.76 HCAR3 (0.51) TP53HCAR3HCAR2ALPLCA12

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
CN-120136764-A Pleuromutilin derivative capable of inhibiting bacterial hydrogen sulfide biosynthesis and preparation method and application thereof 陕西科技大学 2025-06-13 CN disclosed