SCHEMBL11465197

SCHEMBL11465197

CC(=O)c1cccc([CH]c2cccc(C(C)=O)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 4/20 0.48
UNG P13051 1/20 0.48
CREBBP Q92793 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
TTR P02766 2/20 0.42
HTT P42858 1/20 0.42
MAOB P27338 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
PKM P14618 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
SCHEMBL8578294 0.94 KMT2A (0.51) MEN1KMT2AALDH1A1UNGCREBBP
SCHEMBL29957449 0.85 UNG (0.68) MEN1KMT2AALDH1A1UNGCREBBP
SCHEMBL1482839 0.85 UNG (0.68) MEN1KMT2AALDH1A1UNGCREBBP
SCHEMBL6048207 0.83 ALDH1A1 (0.46) MEN1KMT2AALDH1A1UNGCREBBP
SCHEMBL28167538 0.83 KMT2A (0.46) MEN1KMT2AALDH1A1UNGCREBBP
SCHEMBL5950219 0.83 MEN1 (0.46) MEN1KMT2AALDH1A1UNGCREBBP
SCHEMBL4153267 0.83 TDP1 (0.50) MEN1KMT2AALDH1A1UNGCREBBP
SCHEMBL14435609 0.83 MEN1 (0.46) MEN1KMT2AALDH1A1UNGCREBBP
SCHEMBL29838039 0.83 TDP1 (0.50) MEN1KMT2AALDH1A1UNGCREBBP
SCHEMBL11770065 0.82 TTR (0.59) MEN1KMT2AUNGTDP1TTR

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
US-4233445-A SYNERGISTIC WITH SULFA DRUGS AS BACTERICIDES AND ANTIPROTOZOA AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1980-11-11 US disclosed
US-4208520-A BACTERICIDE AMERICAN HOME PRODUCTS CORPORATION (US) 1980-06-17 US disclosed