SCHEMBL9700273

SCHEMBL9700273

CCOC(=O)CC(C)(C)Cc1nc2cccnc2n1Cc1ccc(Cl)cc1

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 6/20 0.77
ALDH1A1 P00352 1/20 0.51
ATM Q13315 1/20 0.51
MAPT P10636 2/20 0.51
TP53 P04637 2/20 0.51
ENPP2 Q13822 5/20 0.50
LMNA P02545 3/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
THRB P10828 1/20 0.49

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
SCHEMBL9701529 0.87 TBXA2R (1.00) TBXA2RMAPTTP53ENPP2LMNA
SCHEMBL9683101 0.85 TBXA2R (0.56) TBXA2RTP53
SCHEMBL9683131 0.85 TBXA2R (0.76) TBXA2RALDH1A1
SCHEMBL9699144 0.81 TBXA2R (0.76) TBXA2R
SCHEMBL9682945 0.80 TBXA2R (0.62) TBXA2R
SCHEMBL9683033 0.78 TBXA2R (0.54) TBXA2R
SCHEMBL9681858 0.78 TBXA2R (0.77) TBXA2R
SCHEMBL9681886 0.78 TBXA2R (0.68) TBXA2R
SCHEMBL9683313 0.78 TBXA2R (0.64) TBXA2RMAPTTP53LMNAMEN1
SCHEMBL9681793 0.78 TBXA2R (0.67) TBXA2RMAPTTP53LMNAMEN1

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-5124336-A Cardiovascular disorders LABORATOIRES UPSA (FR) 1992-06-23 US disclosed