SCHEMBL6526548

SCHEMBL6526548

CN1C(=O)COc2cc([N+](=O)[O-])cc(F)c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 1/20 0.41
ALDH1A1 P00352 5/20 0.35
KMT2A Q03164 2/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
CCKBR P32239 1/20 0.35
GABRA3 P34903 1/20 0.35
OPRK1 P41145 1/20 0.35
MC3R P41968 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
GHSR Q92847 1/20 0.35
TOP1 P11387 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
CHRNB4 P30926 4/20 0.32
CHRNA3 P32297 4/20 0.32

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
SCHEMBL16972827 0.83 TERT (0.41) TERTALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL6530748 0.77 CYP11B2 (0.34) GABRG2GABRB3GABRA5CYP11B1CYP11B2
SCHEMBL29209037 0.77 PDE3B (0.35) TERTGABRG2GABRB3GABRA5POLB
SCHEMBL5004920 0.77 KMT2A (0.40) ALDH1A1KMT2AGABRA1GABRG2GABRB3
SCHEMBL30336272 0.77 PDE3B (0.35) TERTGABRG2GABRB3GABRA5POLB
SCHEMBL3826803 0.76 ALDH1A1 (0.36) ALDH1A1KMT2AGABRA1GABRG2GABRB3
SCHEMBL3044452 0.74 ALDH1A1 (0.40) ALDH1A1KMT2AGABRA1GABRG2GABRB3
SCHEMBL27434591 0.74 L3MBTL1 (0.36) ALDH1A1KMT2AGABRG2GABRB3GABRA5
SCHEMBL3042096 0.74 TERT (0.51) TERTALDH1A1GABRA1GABRG2GABRB3
SCHEMBL18227101 0.72 TERT (0.44) TERTALDH1A1GABRG2GABRB3GABRA5

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
WO-2005082897-A1 OXAZOLIDINONE ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2005-09-09 WO disclosed