SCHEMBL5285309

SCHEMBL5285309

CC1(O)CN(c2c(F)cc([N+](=O)[O-])cc2F)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
KMT2A Q03164 4/20 0.39
LMNA P02545 3/20 0.39
MAPT P10636 4/20 0.38
THRB P10828 1/20 0.38
MEN1 O00255 3/20 0.37
HTT P42858 2/20 0.37
TSHR P16473 1/20 0.36
HIF1A Q16665 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TTR P02766 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
MAPK1 P28482 1/20 0.35
RECQL P46063 1/20 0.35
PMP22 Q01453 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL4707290 0.83 ALDH1A1 (0.41) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL4704819 0.83 ALDH1A1 (0.37) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL5289445 0.81 ALDH1A1 (0.38) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL7815081 0.80 ALDH1A1 (0.59) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL20328809 0.78 LRRK2 (0.40) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL31639655 0.78 ALDH1A1 (0.38) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL5287503 0.76 SOS1 (0.31)
SCHEMBL3039837 0.76 ALDH1A1 (0.43) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL28196822 0.76 ALDH1A1 (0.46) ALDH1A1KMT2ALMNAMAPTHTT
Hydrochloric Acid SCHEMBL5292108 0.76 ALDH1A1 (0.36) ALDH1A1KMT2ALMNAMAPTTHRB

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-2007004049-A1 OXAZOLIDINONES CONTAINING AZETIDINE AS ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2007-01-11 WO disclosed