SCHEMBL9723924

SCHEMBL9723924

CCCC(=O)c1c[n+]([O-])c2c(COC(=O)c3ccccc3)cccc2c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.44
MAPT P10636 5/20 0.41
RAB9A P51151 3/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 2/20 0.41
MEN1 O00255 2/20 0.41
CASP3 P42574 2/20 0.41
SENP7 Q9BQF6 2/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 2/20 0.38
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 4/20 0.35
HTT P42858 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
HPGD P15428 1/20 0.34
GPR84 Q9NQS5 1/20 0.34

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
SCHEMBL9723936 0.90 ALDH1A1 (0.38) PPARGMAPTRAB9AKMT2ANPC1
SCHEMBL9723941 0.80 KMT2A (0.41) MAPTRAB9AKMT2ANPC1MEN1
SCHEMBL9265847 0.77 MEN1 (0.47) PPARGMAPTRAB9AKMT2ANPC1
SCHEMBL9271308 0.69 MAPT (0.61) PPARGMAPTRAB9AKMT2ANPC1
SCHEMBL9269846 0.68 MEN1 (0.42) KMT2AMEN1
SCHEMBL9272311 0.66 KMT2A (0.42) MAPTRAB9AKMT2ANPC1MEN1
SCHEMBL9263567 0.66 TP53 (0.45) MAPTKMT2AMEN1SLC6A2SLC6A3
SCHEMBL5085480 0.66 PPARG (0.71) PPARGMAPTRAB9AKMT2AMAPK1
SCHEMBL9261290 0.65 KMT2A (0.46) PPARGMAPTRAB9AKMT2ANPC1
SCHEMBL19248489 0.65 KMT2A (0.56) PPARGMAPTRAB9AKMT2ANPC1

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-5089504-A SUBSTITUTED 4-AMINOQUINOLINE DERIVATIVES AS GASTRIC ACID SECRETION INHIBITORS SMITHKLINE BECKMAN INTERCREDIT B.V. (NL) 1992-02-18 US disclosed