SCHEMBL9788957

SCHEMBL9788957

O=C(CBr)c1cc2ccccc2[nH]1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.66
FLT3 P36888 3/20 0.65
KDM4E B2RXH2 5/20 0.62
HSD17B10 Q99714 2/20 0.62
MAPT P10636 1/20 0.62
DAO P14920 1/20 0.62
HPGD P15428 1/20 0.62
SRD5A2 P31213 1/20 0.62
ALDH1A1 P00352 2/20 0.60
GAA P10253 1/20 0.60
MAPK1 P28482 1/20 0.60
MAOB P27338 1/20 0.56
LMNA P02545 2/20 0.53
PDGFRB P09619 2/20 0.53
PDGFRA P16234 2/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TP53 P04637 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL6923977 0.84 IDO1 (0.68) IDO1FLT3KDM4EHSD17B10MAPT
SCHEMBL7844858 0.82 IDO1 (0.66) IDO1FLT3KDM4EHSD17B10MAPT
SCHEMBL2730199 0.82 IDO1 (0.66) IDO1FLT3KDM4EHSD17B10MAPT
SCHEMBL30148164 0.82 IDO1 (0.66) IDO1FLT3KDM4EHSD17B10MAPT
SCHEMBL9098845 0.82 IDO1 (0.66) IDO1FLT3KDM4EHSD17B10MAPT
SCHEMBL30148093 0.82 IDO1 (0.66) IDO1FLT3KDM4EHSD17B10MAPT
SCHEMBL9100296 0.81 IDO1 (0.64) IDO1FLT3KDM4EHSD17B10MAPT
SCHEMBL28414304 0.81 IDO1 (0.64) IDO1FLT3KDM4EHSD17B10MAPT
SCHEMBL10777097 0.81 MAOB (0.49) IDO1FLT3KDM4EHSD17B10MAPT
SCHEMBL17287276 0.79 IDO1 (1.00) IDO1FLT3KDM4EHSD17B10MAPT

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-0259085-B1 2-GUANIDINO-4-ARYLTHIAZOLES FOR TREATMENT OF PEPTIC ULCERS PFIZER INC. (US) 1991-08-21 EP disclosed
US-5026715-A 2-guanidino-4-arylthiazoles for treatment of peptic ulcers PFIZER INC. (US) 1991-06-25 US disclosed
EP-0259085-A1 2-Guanidino-4-arylthiazoles for treatment of peptic ulcers PFIZER INC. (US) 1988-03-09 EP disclosed