SCHEMBL9030446

SCHEMBL9030446

N=C(N)c1ccc(OCC(=O)OCc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MRGPRX1 Q96LB2 1/20 0.57
F2 P00734 5/20 0.56
PRSS1 P07477 3/20 0.56
PRSS2 P07478 3/20 0.56
PRSS3 P35030 3/20 0.56
TMPRSS6 Q8IU80 2/20 0.56
ST14 Q9Y5Y6 2/20 0.56
PARP10 Q53GL7 1/20 0.56
TP53 P04637 1/20 0.55
MAPT P10636 1/20 0.55
PLA2G4B P0C869 1/20 0.52
NR4A1 P22736 1/20 0.51
NR4A2 P43354 1/20 0.51
NR4A3 Q92570 1/20 0.51
ITGB3 P05106 2/20 0.51
ITGA2B P08514 2/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51

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
SCHEMBL8681578 0.83 ALDH1A1 (0.61) TP53MAPTPLA2G4BNR4A1NR4A2
SCHEMBL2008979 0.83 MAPK1 (0.56) PARP10TP53MAPTPLA2G4BNR4A1
SCHEMBL8479686 0.82 RAB9A (0.62) PARP10TP53MAPTPLA2G4BNR4A1
SCHEMBL8011529 0.82 LMNA (0.62) TP53MAPTPLA2G4BNR4A1NR4A2
SCHEMBL8013977 0.82 ALOX15 (0.61) TP53MAPTPLA2G4BNR4A1NR4A2
Hydrochloric Acid SCHEMBL27505257 0.82 ALDH1A1 (0.59) TP53MAPTPLA2G4BNR4A1NR4A2
SCHEMBL6629683 0.82 F2 (0.83) MRGPRX1F2PRSS1PRSS2PRSS3
SCHEMBL5288304 0.81 MAPT (0.59) TP53MAPTPLA2G4BKDM4ELMNA
SCHEMBL2006466 0.81 MAPK1 (0.56) PARP10TP53MAPTPLA2G4BNR4A1
Hydrochloric Acid SCHEMBL23541015 0.81 F2 (0.83) MRGPRX1F2PRSS1PRSS2PRSS3

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
EP-0730590-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-09-11 EP disclosed