SCHEMBL7270697

SCHEMBL7270697

CN1CCOc2c(C(=O)O)cc(S(N)(=O)=O)cc21

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.38
PTGES2 Q9H7Z7 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RAD52 P43351 1/20 0.35
NPC1 O15118 1/20 0.35
PKLR P30613 1/20 0.35
RAB9A P51151 1/20 0.35
DRD2 P14416 4/20 0.35
KLKB1 P03952 1/20 0.35
POLB P06746 2/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL7304159 0.90 PKM (0.38) PKMPTGES2MEN1KMT2ARAD52
SCHEMBL7268479 0.88 LMNA (0.39) PKMSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL7270099 0.79 KDM4E (0.40) MEN1KMT2ADRD2
SCHEMBL7276048 0.78 MYC (0.37) SMN1; SMN2DRD2
SCHEMBL7275969 0.78 PARP1 (0.40) DRD2
SCHEMBL7274861 0.78 DRD2 (0.51) DRD2
Hydrochloric Acid SCHEMBL7270776 0.77 DRD2 (0.50) DRD2
SCHEMBL7269336 0.76 MCL1 (0.39) DRD2
SCHEMBL11152798 0.75 ALDH1A1 (0.42) PKMSMN1; SMN2POLBL3MBTL1
SCHEMBL9485086 0.74 DRD2 (0.64) DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0407137-B1 Benzazine compounds and pharmaceutical uses thereof YOSHITOMI PHARMACEUTICAL (JP) 1996-05-01 EP disclosed
US-5185333-A Dopamine D2 receptor blocking agents YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1993-02-09 US disclosed
EP-0407137-A2 Benzazine compounds and pharmaceutical uses thereof YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-01-09 EP disclosed