SCHEMBL7770301

SCHEMBL7770301

CC(C)(CCc1nc2cc(Cl)cnc2n1Cc1ccc(Cl)cc1)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 10/20 0.68
ENPP2 Q13822 1/20 0.45
MAPT P10636 3/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
CCR9 P51686 1/20 0.43
ALOX5AP P20292 1/20 0.43
PTGES2 Q9H7Z7 3/20 0.42
BRD4 O60885 1/20 0.42
TP53 P04637 1/20 0.42
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41

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
Mipitroban SCHEMBL1229504 0.81 TBXA2R (1.00) TBXA2R
SCHEMBL2223565 0.70 PPARA (0.49) MAPTMEN1KMT2AGAAPTGES2
SCHEMBL9581586 0.67 TBXA2R (0.67) TBXA2R
SCHEMBL23630652 0.67 ALOX5AP (0.49) TBXA2RMAPTALOX5APPTGES2KDM4E
SCHEMBL20508674 0.67 BRD4 (0.60) TBXA2RLMNAKMT2ARAB9ABRD4
SCHEMBL9701529 0.66 TBXA2R (1.00) TBXA2RENPP2MAPTMEN1LMNA
SCHEMBL9737953 0.65 PTGES2 (0.82) TBXA2RMAPTPTGES2KDM4ECYP1A2
SCHEMBL22728703 0.65 PPARA (0.54) MAPTMEN1KMT2APTGES2CYP1A2
SCHEMBL21533486 0.65 APEX1 (0.47) TBXA2RMAPTMEN1LMNAKMT2A
SCHEMBL27925889 0.65 ALDH1A1 (0.53) MAPTMEN1LMNAKMT2ANPC1

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
WO-2001089519-A1 THROMBOXANE INHIBITORS, COMPOSITIONS AND METHODS OF USE RELATED APPLICATIONS NITROMED, INC. (US) 2001-11-29 WO claimed