SCHEMBL19907856

SCHEMBL19907856

C/C=C\C=C\C(=O)c1cccnc1C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.48
▸ TDP1 Q9NUW8 1/20 0.42
▸ KDM4E B2RXH2 7/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ MAP2K1 Q02750 1/20 0.40
▸ PKM P14618 1/20 0.39
▸ ALOX15 P16050 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ AGER Q15109 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ POLB P06746 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ ATM Q13315 1/20 0.36

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
SCHEMBL19907918 0.89 TDP1 (0.45) L3MBTL1TDP1KDM4EALDH1A1MAP2K1
SCHEMBL69990 0.78 L3MBTL1 (0.62) L3MBTL1TDP1KDM4EALDH1A1MAP2K1
SCHEMBL29416324 0.78 L3MBTL1 (0.62) L3MBTL1TDP1KDM4EALDH1A1MAP2K1
SCHEMBL29559479 0.76 KDM4E (0.67) L3MBTL1TDP1KDM4EALDH1A1MAP2K1
SCHEMBL519094 0.76 KDM4E (0.67) L3MBTL1TDP1KDM4EALDH1A1MAP2K1
SCHEMBL9632137 0.76 L3MBTL1 (0.58) L3MBTL1TDP1KDM4EALDH1A1MAP2K1
SCHEMBL30452153 0.74 L3MBTL1 (0.57) L3MBTL1TDP1KDM4EALDH1A1MAP2K1
SCHEMBL13485365 0.74 L3MBTL1 (0.57) L3MBTL1TDP1KDM4EALDH1A1MAP2K1
SCHEMBL2372518 0.74 L3MBTL1 (0.57) L3MBTL1TDP1KDM4EALDH1A1MAP2K1
SCHEMBL31098613 0.73 L3MBTL1 (0.55) L3MBTL1TDP1KDM4EALDH1A1MAP2K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3041840-B1 RILYAZINE DERIVATIVES AND COMPOSITIONS FOR THE TREATMENT OF CANCER THE WARNER-BABCOCK INST FOR GREEN CHEMISTRY LLC (US) 2018-02-28 — — EP disclosed
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