SCHEMBL11596763

SCHEMBL11596763

[N-]=[N+]=CC(=O)c1ccc(Cl)c(S(=O)(=O)NC2CCCCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ TP53 P04637 5/20 0.48
▸ LMNA P02545 5/20 0.48
▸ MAPT P10636 4/20 0.48
▸ CNR2 P34972 1/20 0.47
▸ BRD4 O60885 1/20 0.44
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ MAPK1 P28482 1/20 0.40

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
SCHEMBL11597018 1.00 ALDH1A1 (0.49) ALDH1A1L3MBTL1TP53LMNAMAPT
SCHEMBL11595489 0.82 L3MBTL1 (0.57) ALDH1A1L3MBTL1TP53LMNAMAPT
SCHEMBL11596464 0.82 ALDH1A1 (0.57) ALDH1A1L3MBTL1TP53LMNAMAPT
SCHEMBL11595226 0.82 L3MBTL1 (0.57) ALDH1A1L3MBTL1TP53LMNAMAPT
SCHEMBL11596614 0.82 ALDH1A1 (0.57) ALDH1A1L3MBTL1TP53LMNAMAPT
SCHEMBL11726581 0.81 KMT2A (0.63) ALDH1A1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL11597707 0.79 GSTO1 (0.47) ALDH1A1L3MBTL1MAPTKMT2AMEN1
SCHEMBL11595563 0.79 CNR2 (0.54) ALDH1A1L3MBTL1TP53LMNAMAPT
SCHEMBL11595283 0.79 CNR2 (0.54) ALDH1A1L3MBTL1TP53LMNAMAPT
SCHEMBL11527071 0.78 ALDH1A1 (0.52) ALDH1A1L3MBTL1TP53LMNAMAPT

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-4125614-A DIURETIC HOECHST AKTIENGESELLSCHAFT (DE) 1978-11-14 — — US disclosed
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