SCHEMBL9699191

SCHEMBL9699191

CCOC(=O)CCCSc1nc2ccccc2n1Cc1ccc(Cl)cc1Cl

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.66
CTSG P08311 2/20 0.51
CMA1 P23946 2/20 0.51
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
VDR P11473 1/20 0.49
AR P10275 3/20 0.49
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
DRD2 P14416 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
SCHEMBL9681428 0.88 PTGDR2 (0.71) PTGDR2L3MBTL1DRD2TBXA2R
SCHEMBL9683001 0.87 CTSG (0.66) PTGDR2CTSGCMA1LMNAVDR
SCHEMBL7035111 0.82 PTGDR2 (0.69) PTGDR2CTSGCMA1SMN1; SMN2AR
SCHEMBL14577952 0.81 PTGDR2 (0.67) PTGDR2CTSGCMA1LMNASMN1; SMN2
SCHEMBL7030671 0.81 PTGDR2 (0.67) PTGDR2CTSGCMA1ARKMT2A
SCHEMBL5109787 0.80 PTGDR2 (1.00) PTGDR2MEN1KMT2A
SCHEMBL5266755 0.79 PTGDR2 (0.64) PTGDR2CTSGCMA1ARKMT2A
SCHEMBL9682402 0.77 CYP2D6 (0.45) PTGDR2LMNASMN1; SMN2MEN1CYP2D6
SCHEMBL9581575 0.77 TBXA2R (0.58) PTGDR2NPSR1DRD2TBXA2R
SCHEMBL5109861 0.77 PTGDR2 (1.00) PTGDR2MEN1KMT2A

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