SCHEMBL6232877

SCHEMBL6232877

N=C(N)Nc1cccc(C(=O)Oc2ccc3c(c2)Oc2cc(O)ccc2C32OC(=O)c3cc(CCl)ccc32)c1NC(=N)N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.57
FTO Q9C0B1 9/20 0.43
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
SMAD3 P84022 1/20 0.41
PRMT1 Q99873 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
ITPR3 Q14573 1/20 0.40
KCNH2 Q12809 1/20 0.40
TTR P02766 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
SCHEMBL723680 0.84 FTO (0.58) GSTP1FTOMEN1MAPTHTT
SCHEMBL723679 0.84 FTO (0.58) GSTP1FTOMEN1MAPTHTT
SCHEMBL329252 0.76 FTO (0.67) GSTP1FTOMEN1MAPTHTT
SCHEMBL29355604 0.74 GSTP1 (1.00) GSTP1FTOMEN1MAPTHTT
SCHEMBL329253 0.74 GSTP1 (1.00) GSTP1FTOMEN1MAPTHTT
SCHEMBL726955 0.74 FTO (0.57) GSTP1FTOMEN1MAPTHTT
SCHEMBL10682750 0.74 FTO (0.65) GSTP1FTOMEN1MAPTHTT
Hydrochloric Acid SCHEMBL1244954 0.73 FTO (0.56) GSTP1FTOMEN1MAPTHTT
SCHEMBL9223739 0.71 FTO (0.60) GSTP1FTOMEN1MAPTHTT
SCHEMBL19350417 0.70 FTO (0.65) GSTP1FTOMEN1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE38723-E1 Haloalkyl derivatives of reporter molecules used to analyze metabolic activity in cells MOLECULAR PROBES, INC. (US) 2005-04-12 US disclosed
US-5576424-A ANALYZING METABOLIC ACTIVITY OF ENZYMES MOLECULAR PROBES, INC. (US) 1996-11-19 US disclosed
US-5362628-A Analyzing MOLECULAR PROBES, INC. (US) 1994-11-08 US disclosed