SCHEMBL10693708

SCHEMBL10693708

CC1C(=O)NOc2cc(C(=O)CCCN(C)C)ccc21

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRA P10827 13/20 0.38
THRB P10828 12/20 0.38
SLC6A4 P31645 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GSR P00390 1/20 0.35

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
SCHEMBL10693647 0.89 ALDH1A1 (0.36) KDM4EALDH1A1
SCHEMBL8785344 0.88 ALDH1A1 (0.38) KDM4EALDH1A1
SCHEMBL10692241 0.86 HPGD (0.48) ALDH1A1
SCHEMBL9670891 0.72 GSR (0.58) THRATHRBGSR
Iodomethane SCHEMBL9706765 0.71 GSR (0.40) THRATHRBSLC6A4GSR
SCHEMBL10538218 0.68 EGFR (0.48) THRATHRBSLC6A4KDM4EGSR
SCHEMBL10691942 0.68 XDH (0.49) ALDH1A1
SCHEMBL13488541 0.68 ALDH1A1 (0.64) KDM4EALDH1A1
SCHEMBL10693893 0.67 ALDH1A1 (0.36) KDM4EALDH1A1
SCHEMBL11780746 0.66 NPC1 (0.53) THRATHRBSLC6A4SIGMAR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4778792-A Use of 7-acyl benzoxazinones and their derivatives in treating atheromatous disorders LABORATORIES NEGMA (FR) 1988-10-18 US disclosed