SCHEMBL8924724

SCHEMBL8924724

O=C(O)c1ncc[c]c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.41
MAPT P10636 5/20 0.41
ALDH1A1 P00352 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TSHR P16473 2/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
BLM P54132 1/20 0.41
AGER Q15109 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ASPH Q12797 2/20 0.38
KDM8 Q8N371 2/20 0.38
CYP1A2 P05177 1/20 0.36
MYC P01106 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
NAPRT Q6XQN6 2/20 0.30
LMNA P02545 1/20 0.30
P4HTM Q9NXG6 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL10002474 0.81 ADORA3 (0.32) ALDH1A1TSHRLMNA
SCHEMBL2519472 0.78 KDM4E (0.41) KDM4EMAPTALDH1A1L3MBTL1TSHR
SCHEMBL4413036 0.78 KDM4E (0.41) KDM4EMAPTALDH1A1L3MBTL1TSHR
SCHEMBL8924999 0.77 KDM4E (0.46) KDM4EMAPTALDH1A1L3MBTL1TSHR
SCHEMBL8923636 0.72 BRD4 (0.46) KDM4EMAPTALDH1A1L3MBTL1ALOX15
SCHEMBL8923739 0.72 KDM4E (0.36) KDM4EMAPTALDH1A1L3MBTL1TSHR
SCHEMBL69939 0.70 KDM4E (0.54) KDM4EMAPTALDH1A1L3MBTL1TSHR
SCHEMBL9098715 0.70 NAPRT (0.33) KDM4EL3MBTL1NAPRTLMNAP4HTM
SCHEMBL3715622 0.69 POLB (0.43) KDM4EALDH1A1L3MBTL1ALOX15KMT2A
SCHEMBL269904 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5639770-A SUPEROXIDE INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-06-17 US disclosed
EP-0600092-A1 THIAZOLE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-08 EP disclosed