SCHEMBL17530053

SCHEMBL17530053

O=C(O)c1nccc2ocnc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.42
▸ ASPH Q12797 5/20 0.42
▸ KDM8 Q8N371 5/20 0.42
▸ MAPT P10636 4/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ AGER Q15109 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ PIN1 Q13526 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ XDH P47989 1/20 0.35
▸ SLC22A12 Q96S37 1/20 0.35

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
SCHEMBL12985283 0.72 KDM4E (0.43) KDM4EASPHKDM8MAPTALDH1A1
SCHEMBL984268 0.70 PIN1 (0.52) KDM4EMAPTALDH1A1CYP3A4ALOX15
Hydrochloric Acid SCHEMBL27755478 0.69 PIN1 (0.51) KDM4EMAPTALDH1A1CYP3A4ALOX15
Hydrochloric Acid SCHEMBL27928599 0.69 PIN1 (0.51) KDM4EMAPTALDH1A1CYP3A4ALOX15
SCHEMBL27755564 0.69 PIN1 (0.51) KDM4EMAPTALDH1A1CYP3A4ALOX15
SCHEMBL14437988 0.68 CYP2A6 (0.33) —
SCHEMBL29537821 0.68 DYRK1A (0.37) ADORA2A
SCHEMBL31148071 0.68 LMNA (0.33) MAPTCYP3A4PIN1
SCHEMBL8980290 0.68 PIN1 (0.39) KDM4EALDH1A1L3MBTL1PIN1MEN1
SCHEMBL15902280 0.68 PIN1 (0.36) ALDH1A1PIN1MEN1GAAKMT2A

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-2990055-B1 COMPOSITION COMPRISING A SPHINGOSINE-1-PHOSPHATE RECEPTOR 1 AGONIST FOR INHIBITING FORMATION AND/OR ENLARGEMENT OF CEREBRAL ANEURYSM OR FOR SHRINKING IT UNIV KYOTO (JP) 2019-06-05 — — EP disclosed
US-9629834-B2 Medicinal composition for inhibiting formation and/or enlargement of cerebral aneurysm or shrinking same KYOTO UNIVERSITY (JP) 2017-04-25 — — US disclosed
US-20160113917-A1 MEDICINAL COMPOSITION FOR INHIBITING FORMATION AND/OR ENLARGEMENT OF CEREBRAL ANEURYSM OR SHRINKING SAME KYOTO UNIVERSITY (JP) 2016-04-28 — — US disclosed
EP-2990055-A1 MEDICINAL COMPOSITION FOR INHIBITING FORMATION AND/OR ENLARGEMENT OF CEREBRAL ANEURYSM OR SHRINKING SAME Kyoto University (JP) 2016-03-02 — — EP disclosed
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