SCHEMBL7104926

SCHEMBL7104926

C=CC(=O)c1ccc(-c2nccc(C)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH5A1 P51649 1/20 0.44
ABAT P80404 1/20 0.44
AKT1 P31749 1/20 0.42
THRB P10828 8/20 0.41
THRA P10827 6/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
KDM4E B2RXH2 2/20 0.40
POLB P06746 2/20 0.40
PRNP P04156 1/20 0.40
GAA P10253 1/20 0.40
MAP4K4 O95819 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP3A4 P08684 2/20 0.39
HPGD P15428 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 1/20 0.39
EGFR P00533 1/20 0.39
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
SCHEMBL8365593 0.80 MEN1 (0.47) MEN1KMT2AKDM4EPOLBPRNP
SCHEMBL20339735 0.80 RXRA (0.46) MEN1KMT2AKDM4EPOLBPRNP
SCHEMBL14818819 0.80 AKT1 (0.55) ALDH5A1ABATAKT1THRBTHRA
SCHEMBL7032910 0.76 MEN1 (0.44) MEN1KMT2AKDM4EPOLBPRNP
SCHEMBL30957376 0.74 MEN1 (0.66) MEN1KMT2AKDM4EPOLBPRNP
SCHEMBL27612958 0.74 KMT2A (0.41) MEN1KMT2AKDM4EPOLBPRNP
SCHEMBL27357797 0.74 SMN1; SMN2 (0.50) MEN1KMT2AKDM4EPOLBPRNP
Maleic Acid SCHEMBL27357801 0.74 KMT2A (0.53) THRBMEN1KMT2AKDM4EPOLB
SCHEMBL2666244 0.74 MEN1 (0.59) MEN1KMT2AKDM4EPOLBPRNP
SCHEMBL6847816 0.73 CYP2A6 (0.42) MEN1KMT2AKDM4EPOLBPRNP

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-1343798-A1 6-O-CARBAMOYL KETOLIDE DERIVATIVES OF ERYTHROMYCIN USEFUL AS ANTIBACTERIALS Ortho-Mcneil Pharmaceutical, Inc. (US) 2003-09-17 EP disclosed
WO-2002046204-A1 6-0-CARBAMOYL KETOLIDE DERIVATIVES OF ERYTHROMYCIN USEFUL AS ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2002-06-13 WO disclosed