SCHEMBL8550289

SCHEMBL8550289

Cc1cc[n+]([O-])c(Br)c1C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.47
KMT2A Q03164 5/20 0.47
NPC1 O15118 3/20 0.47
TDP1 Q9NUW8 4/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPK1 P28482 2/20 0.45
TSHR P16473 3/20 0.45
ALDH1A1 P00352 5/20 0.43
LMNA P02545 2/20 0.42
MAPT P10636 3/20 0.41
HPGD P15428 1/20 0.41
GAA P10253 1/20 0.40
CYP3A4 P08684 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
STAT1 P42224 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 1/20 0.40
ATM Q13315 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
SCHEMBL6068448 0.77 TDP1 (0.59) RAB9AKMT2ANPC1TDP1SLC6A2
SCHEMBL26547090 0.76 TDP1 (0.47) RAB9AKMT2ANPC1TDP1SLC6A2
SCHEMBL8665006 0.73 TDP1 (0.47) RAB9AKMT2ANPC1TDP1SLC6A2
SCHEMBL8550600 0.73 ALDH1A1 (0.51) RAB9AKMT2ANPC1TDP1SLC6A2
SCHEMBL21396290 0.73 TDP1 (0.54) RAB9AKMT2ANPC1TDP1SLC6A2
SCHEMBL7402152 0.72 TDP1 (0.46) RAB9AKMT2ANPC1TDP1SLC6A2
SCHEMBL17965803 0.72 TDP1 (0.61) RAB9AKMT2ANPC1TDP1SLC6A2
SCHEMBL17965761 0.72 TDP1 (0.61) RAB9AKMT2ANPC1TDP1SLC6A2
SCHEMBL7323211 0.72 TDP1 (0.53) RAB9AKMT2ANPC1TDP1SLC6A2
SCHEMBL26390430 0.72 TDP1 (0.53) RAB9AKMT2ANPC1TDP1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0714393-B1 THIAZOLES AS ANTIVIRAL PFIZER (US) 1998-09-23 EP disclosed
US-5789408-A Antiviral thiazoles PFIZER INC. (US) 1998-08-04 US disclosed
EP-0714393-A1 THIAZOLES AS ANTIVIRAL PFIZER INC. (US) 1996-06-05 EP disclosed
WO-1995005378-A1 ANTIVIRAL THIAZOLES PFIZER INC. (US) 1995-02-23 WO disclosed