SCHEMBL9700220

SCHEMBL9700220

CCOC(=O)C(S)CCc1nc2cccnc2n1Cc1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
TP53 P04637 4/20 0.56
TBXA2R P21731 1/20 0.56
ENPP2 Q13822 8/20 0.55
LMNA P02545 3/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
THRB P10828 2/20 0.51
ALDH1A1 P00352 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
SCHEMBL9699244 0.88 ENPP2 (0.64) MAPTTP53TBXA2RENPP2LMNA
SCHEMBL9682037 0.85 RXFP1 (0.44) MAPTTP53TBXA2RENPP2LMNA
SCHEMBL9681424 0.85 TBXA2R (0.59) MAPTTP53TBXA2RALDH1A1
SCHEMBL9700273 0.78 TBXA2R (0.77) MAPTTP53TBXA2RENPP2LMNA
SCHEMBL9581584 0.78 TBXA2R (0.64) TBXA2R
SCHEMBL18012398 0.76 LMNA (0.73) MAPTTP53ENPP2LMNAMEN1
SCHEMBL30100280 0.76 LMNA (0.73) MAPTTP53ENPP2LMNAMEN1
SCHEMBL9699186 0.73 TP53 (0.54) MAPTTP53TBXA2RLMNAMEN1
SCHEMBL19771389 0.73 ENPP2 (0.82) MAPTTP53ENPP2LMNAMEN1
SCHEMBL19771388 0.73 LMNA (0.82) MAPTTP53ENPP2LMNAMEN1

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