SCHEMBL8945290

SCHEMBL8945290

O=C(OCc1ccccc1)c1ccnc(C(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.58
KMT2A Q03164 2/20 0.58
JMJD6 Q6NYC1 1/20 0.58
SLC6A2 P23975 1/20 0.58
SLC6A3 Q01959 1/20 0.58
ALDH1A1 P00352 6/20 0.56
MAPT P10636 3/20 0.56
KDM4E B2RXH2 2/20 0.56
KDM5A P29375 2/20 0.56
KDM4C Q9H3R0 2/20 0.56
KDM5B Q9UGL1 2/20 0.56
KDM6B O15054 1/20 0.56
TET3 O43151 1/20 0.56
KDM4A O75164 1/20 0.56
BBOX1 O75936 1/20 0.56
KDM5C P41229 1/20 0.56
ASPH Q12797 1/20 0.56
KDM4D Q6B0I6 1/20 0.56
TET2 Q6N021 1/20 0.56
ALKBH5 Q6P6C2 1/20 0.56

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
SCHEMBL8945534 0.93 TDP1 (0.60) TDP1KMT2AJMJD6SLC6A2SLC6A3
SCHEMBL8945285 0.88 KDM5A (0.56) TDP1KMT2AJMJD6SLC6A2SLC6A3
SCHEMBL27525131 0.87 PKM (0.59) TDP1KMT2AJMJD6SLC6A2SLC6A3
SCHEMBL19940522 0.84 JMJD6 (0.52) TDP1KMT2AJMJD6SLC6A2SLC6A3
SCHEMBL19921398 0.84 JMJD6 (0.52) TDP1KMT2AJMJD6SLC6A2SLC6A3
SCHEMBL20858947 0.84 TDP1 (0.60) TDP1KMT2AJMJD6SLC6A2SLC6A3
SCHEMBL19682061 0.82 TDP1 (0.58) TDP1KMT2AJMJD6SLC6A2SLC6A3
SCHEMBL12486679 0.82 TDP1 (0.58) TDP1KMT2AJMJD6SLC6A2SLC6A3
SCHEMBL17559333 0.82 TDP1 (0.58) TDP1KMT2AJMJD6SLC6A2SLC6A3
SCHEMBL20305868 0.82 JMJD6 (0.62) TDP1KMT2AJMJD6SLC6A2SLC6A3

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
JP-7002777-A None JP disclosed
US-5519038-A ENZYME INHIBITORS SUITABLE AS FIBROSUPPRESSANTS AND IMMUNOSUPPRESSANTS HOECHST AKTIENGESELLSCHAFT (DE) 1996-05-21 US disclosed
JP-H072777-A 4-OR 5-SUBSTITUTED PYRIDINE-2-CARBOXYLIC ACID, ITS PREPARATION AND ITS USE AS PHARMACEUTICAL HOECHST AG 1995-01-06 JP disclosed