SCHEMBL20020113

SCHEMBL20020113

Sc1ccncc1-c1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.44
RPS6KA3 P51812 5/20 0.42
GAA P10253 2/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
GCGR P47871 1/20 0.36
MAPK14 Q16539 1/20 0.36
CACNA1B Q00975 2/20 0.36
KDM4E B2RXH2 2/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DGAT1 O75907 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
CYP19A1 P11511 1/20 0.35
MAPT P10636 1/20 0.35
DAPK3 O43293 1/20 0.35
PRKD3 O94806 1/20 0.35
PIM1 P11309 1/20 0.35

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
SCHEMBL15468461 0.83 LMNA (0.46) SLC22A12RPS6KA3MAPK14LMNAMAPT
SCHEMBL15468467 0.80 SLC22A12 (0.44) SLC22A12RPS6KA3RAB9ANPC1GCGR
SCHEMBL20020060 0.80 RPS6KA3 (0.68) SLC22A12RPS6KA3CYP11B1CYP11B2CYP19A1
SCHEMBL18162722 0.76 CYP11B1 (0.50) SLC22A12RPS6KA3RAB9ANPC1CYP11B1
SCHEMBL16938695 0.76 MAPT (0.55) SLC22A12RPS6KA3RAB9ANPC1CACNA1B
SCHEMBL15468459 0.76 RPS6KA3 (0.39) SLC22A12RPS6KA3GAAKDM4ESMN1; SMN2
SCHEMBL4948169 0.72 DGAT1 (0.42) SLC22A12RPS6KA3GAARAB9ANPC1
SCHEMBL18162728 0.72 GRM4 (0.45) SLC22A12RPS6KA3GAARAB9ACACNA1B
SCHEMBL8588230 0.70 ALDH1A1 (0.50) GAARAB9ANPC1KDM4ELMNA
SCHEMBL15468462 0.70 SLC22A12 (0.57) SLC22A12GAARAB9ANPC1KDM4E

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-2975025-B1 THIOACETATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES INC (US) 2018-04-04 EP disclosed