SCHEMBL13899484

SCHEMBL13899484

COC(=O)CNCc1ccc(OCc2nn(-c3ccccc3)nc2C)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
PKM P14618 1/20 0.48
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 2/20 0.45
TSHR P16473 1/20 0.45
GID4 Q8IVV7 1/20 0.44
HDAC1 Q13547 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MPO P05164 1/20 0.41
BCHE P06276 1/20 0.40
SCN3A Q9NY46 1/20 0.40
NR3C1 P04150 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL13906078 0.92 LMNA (0.47) LMNAPKMKDM4EALDH1A1CYP3A4
SCHEMBL13899490 0.91 LMNA (0.47) LMNAPKMKDM4EALDH1A1CYP3A4
SCHEMBL13899481 0.89 LMNA (0.46) LMNAPKMKDM4EALDH1A1CYP3A4
SCHEMBL13899509 0.89 LMNA (0.46) LMNAPKMKDM4EALDH1A1CYP3A4
SCHEMBL13899497 0.80 PPARG (0.49) LMNAPKMKDM4EALDH1A1CYP3A4
SCHEMBL13899510 0.79 PPARG (0.46) LMNAPKMKDM4EALDH1A1CYP3A4
SCHEMBL3498807 0.78 BCHE (0.67) GID4SMN1; SMN2BCHEMEN1KMT2A
SCHEMBL13899485 0.76 KDM4E (0.47) LMNAPKMKDM4EALDH1A1CYP3A4
SCHEMBL13899486 0.74 LMNA (0.55) LMNAPKMKDM4EALDH1A1CYP3A4
SCHEMBL13899335 0.73 LPAR1 (0.41) LMNAPKMKDM4EALDH1A1CYP3A4

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