SCHEMBL9701529

SCHEMBL9701529

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 14/20 1.00
ENPP2 Q13822 2/20 0.56
LMNA P02545 3/20 0.56
MAPT P10636 2/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
TP53 P04637 1/20 0.52

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
SCHEMBL9700273 0.87 TBXA2R (0.77) TBXA2RENPP2LMNAMAPTMEN1
Mipitroban SCHEMBL1229504 0.85 TBXA2R (1.00) TBXA2R
SCHEMBL9683089 0.84 TBXA2R (0.73) TBXA2R
SCHEMBL9681794 0.84 TBXA2R (1.00) TBXA2R
SCHEMBL9683255 0.79 TBXA2R (1.00) TBXA2R
SCHEMBL9683144 0.78 TBXA2R (0.82) TBXA2R
SCHEMBL9681926 0.76 TBXA2R (0.87) TBXA2RMEN1KMT2A
SCHEMBL9681816 0.76 TBXA2R (0.71) TBXA2R
SCHEMBL9681429 0.76 TBXA2R (1.00) TBXA2R
SCHEMBL9681374 0.76 TBXA2R (0.88) TBXA2R

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