SCHEMBL13899490

SCHEMBL13899490

COC(=O)CNCc1ccc(OCCc2nn(-c3ccccc3)nc2C)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
PKM P14618 1/20 0.47
PPARG P37231 4/20 0.47
PPARA Q07869 3/20 0.47
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 2/20 0.44
CYP3A4 P08684 1/20 0.44
LTA4H P09960 4/20 0.42
HDAC1 Q13547 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.40

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
SCHEMBL13899509 0.96 LMNA (0.46) LMNAPKMPPARGPPARAKDM4E
SCHEMBL13899484 0.91 LMNA (0.48) LMNAPKMKDM4EALDH1A1TSHR
SCHEMBL13899497 0.89 PPARG (0.49) LMNAPKMPPARGPPARAKDM4E
SCHEMBL13899510 0.85 PPARG (0.46) LMNAPKMPPARGPPARAKDM4E
SCHEMBL13906078 0.82 LMNA (0.47) LMNAPKMPPARGPPARAKDM4E
SCHEMBL13906024 0.81 LMNA (0.41) LMNAPKMPPARGPPARAKDM4E
SCHEMBL13899481 0.80 LMNA (0.46) LMNAPKMPPARGPPARAKDM4E
SCHEMBL13899500 0.78 PPARG (0.48) LMNAPKMPPARGPPARAKDM4E
SCHEMBL6342542 0.75 PPARG (0.69) PPARGPPARA
Hydrochloric Acid SCHEMBL6351538 0.74 PPARG (0.67) PPARGPPARA

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-7507757-B2 Substituted heterocyclic derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY (US) 2009-03-24 US disclosed
US-7507757-B2 Substituted heterocyclic derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY (US) 2009-03-24 US disclosed