SCHEMBL6438516

SCHEMBL6438516

O=C(NCc1ccccc1)NC(NC(=O)NCc1ccccc1)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.59
MAPT P10636 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
ANPEP P15144 3/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C19 P33261 1/20 0.56
ATM Q13315 1/20 0.55
EPHX1 P07099 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TP53 P04637 1/20 0.53
ALDH1A1 P00352 1/20 0.52
UTS2R Q9UKP6 1/20 0.52
EPHX2 P34913 1/20 0.51

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
SCHEMBL6436940 0.83 EPHX2 (0.68) MAPTL3MBTL1ANPEPCYP3A4CYP2C19
SCHEMBL714625 0.80 EPHX1 (0.77) CYP2C19EPHX1SMN1; SMN2TP53ALDH1A1
SCHEMBL12252067 0.80 MAPT (0.69) MAPTL3MBTL1ANPEPATMEPHX1
SCHEMBL23862449 0.79 UTS2R (0.53) MAPTL3MBTL1ANPEPCYP3A4CYP2C19
SCHEMBL3078732 0.77 L3MBTL1 (0.56) MAPTL3MBTL1ANPEPCYP3A4CYP2C19
SCHEMBL10883477 0.77 MAPT (0.65) MAPTL3MBTL1ANPEPATMEPHX1
SCHEMBL24568368 0.77 MAPT (0.65) MAPTL3MBTL1ANPEPATMEPHX1
SCHEMBL9554654 0.77 MAPT (0.74) MAPTL3MBTL1ANPEPATMSMN1; SMN2
SCHEMBL6033584 0.77 TP53 (0.75) MAPTCYP2C19EPHX1SMN1; SMN2TP53
SCHEMBL2563448 0.76 ALDH1A1 (0.83) L3MBTL1ANPEPATMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7459014-B2 Radiation curable inks containing curable gelator additives XEROX CORPORATION (US) 2008-12-02 US disclosed
US-7459014-B2 Radiation curable inks containing curable gelator additives XEROX CORPORATION (US) 2008-12-02 US disclosed
US-20050077648-A1 Solution casting method and polymer film FUJIFILM CORPORATION (JP) 2005-04-14 US disclosed