SCHEMBL23850697

SCHEMBL23850697

C=C(C(=O)O)c1cnc(Br)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.38
NPC1 O15118 5/20 0.35
RAB9A P51151 5/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
DAO P14920 1/20 0.32
MAPK13 O15264 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 0.32
CYP1A2 P05177 2/20 0.31
NFKB1 P19838 1/20 0.31
PPARG P37231 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
NCOA2 Q15596 1/20 0.31
NCOA1 Q15788 1/20 0.31

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
Formaldehyde SCHEMBL27847261 0.79 HCAR2 (0.55) HCAR2NPC1RAB9ASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL29229113 0.77 HCAR2 (0.57) HCAR2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL854956 0.72
SCHEMBL3701608 0.72
SCHEMBL1238343 0.72
SCHEMBL28774604 0.69 DAO (0.63) NPC1RAB9ASMN1; SMN2ALDH1A1DAO
SCHEMBL6974196 0.68 GSK3B (0.39) HCAR2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL23562689 0.68 ALDH1A1 (0.48) HCAR2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2225633 0.68 HDAC6 (0.56) HDAC1HDAC6
SCHEMBL568626 0.68 HCAR2 (0.38) HCAR2NPC1RAB9ASMN1; SMN2ALDH1A1

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-3883925-A1 CYCLIC UREAS Sironax Ltd (KY) 2021-09-29 EP disclosed