SCHEMBL9700228

SCHEMBL9700228

CCOC(=O)CCCSc1nc2cccnc2n1Cc1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.60
ATM Q13315 1/20 0.60
PTGDR2 Q9Y5Y4 4/20 0.55
KDM4E B2RXH2 1/20 0.52
LMNA P02545 2/20 0.52
THRB P10828 1/20 0.49
TP53 P04637 5/20 0.48
MAPT P10636 2/20 0.48
USP2 O75604 1/20 0.48
HTT P42858 1/20 0.48
HPGD P15428 1/20 0.47
TBXA2R P21731 1/20 0.47

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
SCHEMBL9699251 0.86 HPGD (0.54) ALDH1A1LMNATHRBTP53MAPT
SCHEMBL9682042 0.86 PTGDR2 (0.53) ALDH1A1ATMPTGDR2TBXA2R
SCHEMBL9681428 0.85 PTGDR2 (0.71) PTGDR2TBXA2R
SCHEMBL9581575 0.79 TBXA2R (0.58) PTGDR2TBXA2R
SCHEMBL19851021 0.76 TSHR (0.54) ALDH1A1ATMPTGDR2KDM4ELMNA
SCHEMBL9699174 0.76 PTGDR2 (0.55) ALDH1A1PTGDR2KDM4ELMNATBXA2R
SCHEMBL9682472 0.76 TBXA2R (0.57) PTGDR2TBXA2R
SCHEMBL10388365 0.75
SCHEMBL19851102 0.75 TSHR (0.52) ALDH1A1ATMPTGDR2KDM4ELMNA
SCHEMBL9700273 0.74 TBXA2R (0.77) ALDH1A1ATMLMNATHRBTP53

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