SCHEMBL11366904

SCHEMBL11366904

CC(C)(C)C(=O)OCOC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.63
CYP1A2 P05177 3/20 0.63
CYP2C9 P11712 3/20 0.63
CYP3A4 P08684 2/20 0.63
MEN1 O00255 2/20 0.63
ALDH1A1 P00352 2/20 0.63
KMT2A Q03164 2/20 0.63
GMNN O75496 1/20 0.63
TTR P02766 1/20 0.63
PKM P14618 1/20 0.63
NFKB1 P19838 1/20 0.63
UGT1A1 P22309 1/20 0.63
PTGS1 P23219 1/20 0.63
PTGS2 P35354 1/20 0.63
PMP22 Q01453 1/20 0.63
DHODH Q02127 1/20 0.63
TEAD4 Q15561 1/20 0.63
HIF1A Q16665 1/20 0.63
GPR35 Q9HC97 1/20 0.63
TDP1 Q9NUW8 1/20 0.63

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
SCHEMBL8689929 0.86 LMNA (0.69) LMNACYP1A2CYP2C9CYP3A4MEN1
SCHEMBL25392363 0.84 LMNA (0.76) LMNACYP1A2CYP2C9CYP3A4MEN1
SCHEMBL13299182 0.84 LMNA (0.65) LMNACYP1A2CYP2C9CYP3A4MEN1
SCHEMBL11521452 0.83 LMNA (0.67) LMNACYP1A2CYP2C9CYP3A4MEN1
SCHEMBL3807352 0.80 PDE4D (0.64) LMNACYP1A2CYP2C9CYP3A4MEN1
SCHEMBL11579364 0.80 PDE4D (0.63) LMNACYP1A2CYP2C9CYP3A4MEN1
SCHEMBL12608890 0.79 LMNA (0.79) LMNACYP1A2CYP2C9CYP3A4MEN1
SCHEMBL13653030 0.79 LMNA (0.74) LMNACYP1A2CYP2C9CYP3A4MEN1
Acetic Acid SCHEMBL28343561 0.78 PDE4D (0.61) LMNACYP1A2CYP2C9CYP3A4MEN1
Niflumic Acid SCHEMBL24706 0.78 DHODH (1.00) LMNACYP1A2CYP2C9CYP3A4MEN1

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-4273777-A PYRIDINE-3-CARBOXYLIC ACID ESTERS LABORATORIOS BAGO S.A. (AR) 1981-06-16 US claimed
US-4273777-A PYRIDINE-3-CARBOXYLIC ACID ESTERS LABORATORIOS BAGO S.A. (AR) 1981-06-16 US disclosed