SCHEMBL8548565

SCHEMBL8548565

O=C(OCc1ccccc1)c1cnccc1CCl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.57
KMT2A Q03164 2/20 0.57
LMNA P02545 2/20 0.57
POLB P06746 2/20 0.55
ALDH1A1 P00352 5/20 0.53
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
NPSR1 Q6W5P4 2/20 0.48
HPGD P15428 1/20 0.48
L3MBTL1 Q9Y468 5/20 0.48
TSHR P16473 3/20 0.48
CASP3 P42574 1/20 0.48
RAB9A P51151 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
GCGR P47871 1/20 0.47
EGLN1 Q9GZT9 1/20 0.46
CYP3A4 P08684 2/20 0.46
MAPK1 P28482 1/20 0.46

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
Hydrochloric Acid SCHEMBL8548561 0.99 TDP1 (0.56) TDP1KMT2ALMNAPOLBALDH1A1
SCHEMBL8131498 0.86 TDP1 (0.55) TDP1KMT2ALMNAPOLBALDH1A1
SCHEMBL29286546 0.85 TDP1 (0.63) TDP1KMT2ALMNAPOLBALDH1A1
SCHEMBL25306107 0.84 POLB (0.59) TDP1KMT2ALMNAPOLBALDH1A1
Lithium Ion SCHEMBL8131493 0.84 TDP1 (0.52) TDP1KMT2ALMNAPOLBALDH1A1
SCHEMBL5462907 0.82 ALDH1A1 (0.67) TDP1KMT2ALMNAPOLBALDH1A1
SCHEMBL8124275 0.81 TDP1 (0.58) TDP1KMT2ALMNAPOLBALDH1A1
SCHEMBL8545590 0.81 TSHR (0.47) KMT2ALMNAALDH1A1TSHRRAB9A
SCHEMBL22258325 0.79 TDP1 (0.60) TDP1KMT2ALMNAPOLBALDH1A1
SCHEMBL28554760 0.78 TDP1 (0.58) TDP1KMT2ALMNAPOLBALDH1A1

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