Etofenamate

Etofenamate

SCHEMBL13731241

CC(C)(S)C(=O)N[C@@H](CS)C(=O)O.O=C(OCCOCCO)c1ccccc1Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.71

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.71
CYP1A2 P05177 1/20 0.71
CYP2C9 P11712 1/20 0.71
CYP2C19 P33261 1/20 0.71
YAP1 P46937 1/20 0.43
TEAD4 Q15561 1/20 0.43
TEAD2 Q15562 1/20 0.43
RXFP1 Q9HBX9 5/20 0.42
SIRT2 Q8IXJ6 2/20 0.40
AKR1C3 P42330 2/20 0.40
AKR1C2 P52895 2/20 0.40
MPO P05164 5/20 0.38
TP53 P04637 1/20 0.38
AURKA O14965 1/20 0.37

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
Etofenamate SCHEMBL28086507 1.00 LMNA (0.71) LMNACYP1A2CYP2C9CYP2C19YAP1
Etofenamate SCHEMBL25152 0.84 LMNA (1.00) LMNACYP1A2CYP2C9CYP2C19YAP1
Etofenamate SCHEMBL6836167 0.82 LMNA (0.92) LMNACYP1A2CYP2C9CYP2C19YAP1
SCHEMBL12715082 0.80 LMNA (0.91) LMNACYP1A2CYP2C9CYP2C19YAP1
SCHEMBL10631533 0.74 LMNA (0.78) LMNACYP1A2CYP2C9CYP2C19YAP1
Ufenamate SCHEMBL29376700 0.72 CYP1A2 (0.72) LMNACYP1A2CYP2C9CYP2C19YAP1
Ufenamate SCHEMBL36095 0.72 CYP1A2 (0.72) LMNACYP1A2CYP2C9CYP2C19YAP1
SCHEMBL10597386 0.72 LMNA (0.71) LMNACYP1A2CYP2C9CYP2C19YAP1
SCHEMBL3812938 0.71 LMNA (0.70) LMNACYP1A2CYP2C9CYP2C19YAP1
Etofenamate SCHEMBL28772901 0.71 LMNA (0.69) LMNACYP1A2CYP2C9CYP2C19YAP1

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
EP-2699579-A1 PYRAZOLO [4, 3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS Origenis GmbH (DE) 2014-02-26 EP disclosed
WO-2012143144-A1 PYRAZOLO [4, 3-D] PYRIMIDINES USEFUL AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2012-10-26 WO disclosed