SCHEMBL6468308

SCHEMBL6468308

C=Cc1ccccc1C1=NC(C)(C)C(=O)O1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
IDO1 P14902 1/20 0.32
ALDH1A1 P00352 2/20 0.31
ALOX15 P16050 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
MCL1 Q07820 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL10583841 0.84 ALOX15 (0.39) KDM4ECYP1A2CYP2C19IDO1ALDH1A1
SCHEMBL6702374 0.82 ALOX15 (0.38) KDM4ECYP1A2CYP2C19IDO1ALDH1A1
SCHEMBL6468303 0.72 ALDH1A1 (0.35) ALDH1A1TDP1MEN1KMT2ANPSR1
SCHEMBL3384398 0.72 ALDH1A1 (0.46) KDM4ECYP1A2CYP2C19ALDH1A1TDP1
Hydrochloric Acid SCHEMBL11729437 0.70 ALDH1A1 (0.45) KDM4ECYP1A2CYP2C19ALDH1A1TDP1
SCHEMBL24241764 0.69 MAPT (0.44) CYP1A2CYP2C19ALDH1A1MEN1KMT2A
SCHEMBL6698057 0.67 ALDH1A1 (0.36) KDM4EALDH1A1MEN1KMT2ANPSR1
SCHEMBL132630 0.65 ALDH1A1 (0.55) KDM4ECYP1A2CYP2C19ALDH1A1TDP1
SCHEMBL24534547 0.65 ALDH1A1 (0.47) KDM4ECYP1A2ALDH1A1MEN1KMT2A
SCHEMBL27275799 0.64 TDP1 (0.37) KDM4ECYP1A2CYP2C19ALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6906158-B2 Compositions and methods of vinyl oxazolone polymerization IRM, LLC (BM) 2005-06-14 US claimed
US-20040242840-A1 Compositions and methods of vinyl oxazolone polymerization IRM, LLC 2004-12-02 US claimed
WO-2004081538-A2 COMPOSITIONS AND METHODS OF VINYL OXAZOLONE POLYMERIZATION IRM, LLC 2004-09-23 WO claimed
US-6906158-B2 Compositions and methods of vinyl oxazolone polymerization IRM, LLC (BM) 2005-06-14 US disclosed
US-20040242840-A1 Compositions and methods of vinyl oxazolone polymerization IRM, LLC 2004-12-02 US disclosed
WO-2004081538-A2 COMPOSITIONS AND METHODS OF VINYL OXAZOLONE POLYMERIZATION IRM, LLC 2004-09-23 WO disclosed