SCHEMBL7778741

SCHEMBL7778741

CC(=O)Nc1cccc(C(=O)O)c1.[NaH]

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
HSD17B10 Q99714 2/20 0.59
ALDH1A1 P00352 2/20 0.59
CYP1A2 P05177 1/20 0.59
NAPRT Q6XQN6 1/20 0.59
RAB9A P51151 4/20 0.58
NPC1 O15118 3/20 0.58
MITF O75030 1/20 0.58
LMNA P02545 1/20 0.58
TP53 P04637 1/20 0.58
MAPT P10636 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HPSE Q9Y251 1/20 0.57
CBS P35520 1/20 0.55
AKR1B10 O60218 1/20 0.55
AKR1B1 P15121 1/20 0.55
AKR1C4 P17516 1/20 0.55
AKR1C3 P42330 1/20 0.55
AKR1C2 P52895 1/20 0.55

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
SCHEMBL31022695 0.98 MEN1 (0.62) MEN1KMT2AHSD17B10ALDH1A1CYP1A2
SCHEMBL758991 0.98 MEN1 (0.62) MEN1KMT2AHSD17B10ALDH1A1CYP1A2
Acetic Acid SCHEMBL6444184 0.96 MEN1 (0.60) MEN1KMT2AHSD17B10ALDH1A1CYP1A2
SCHEMBL474709 0.86 KMT2A (0.70) MEN1KMT2AHSD17B10ALDH1A1CYP1A2
SCHEMBL11031257 0.84 ALDH1A1 (0.71) MEN1KMT2AHSD17B10ALDH1A1CYP1A2
SCHEMBL23932088 0.82 KMT2A (0.66) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL4749812 0.82 NPC1 (0.80) MEN1KMT2ARAB9ANPC1MITF
SCHEMBL1901172 0.82 ALDH1A1 (0.76) MEN1KMT2AHSD17B10ALDH1A1CYP1A2
SCHEMBL2328579 0.81 ALDH1A1 (0.59) MEN1KMT2AHSD17B10ALDH1A1CYP1A2
SCHEMBL24548087 0.81 TDP1 (0.62) MEN1KMT2AHSD17B10ALDH1A1CYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1133346-A1 A PROCESS FOR THE RECOVERY OF IODINE FROM AQUEOUS SOLUTIONS CONTAINING IODINATED ORGANIC COMPOUNDS Bracco Imaging S.p.A. (IT) 2001-09-19 EP disclosed
WO-2000032303-A1 A PROCESS FOR THE RECOVERY OF IODINE FROM AQUEOUS SOLUTIONS CONTAINING IODINATED ORGANIC COMPOUNDS BRACCO IMAGING S.P.A. (IT) 2000-06-08 WO disclosed