SCHEMBL7389709

SCHEMBL7389709

COC(=O)C(=O)c1cc2cc(C#N)ccc2o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
LMNA P02545 2/20 0.42
TP53 P04637 1/20 0.42
PLAU P00749 1/20 0.41
TAS1R3 Q7RTX0 6/20 0.40
TAS1R1 Q7RTX1 6/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40
BRCA1 P38398 1/20 0.40
CASP7 P55210 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
FLT3 P36888 3/20 0.40

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
SCHEMBL9231951 0.86 CA12 (0.46) DRD2DRD4DRD3HRH3LMNA
SCHEMBL7384075 0.81 ALDH1A1 (0.61) DRD2DRD4DRD3HRH3LMNA
SCHEMBL1819421 0.79 PIM1 (0.58) HRH3LMNATP53PLAUKDM4E
SCHEMBL16595200 0.78 PIM1 (0.62) LMNATP53KDM4EALDH1A1HPGD
SCHEMBL8713424 0.78 HRH3 (0.48) DRD2DRD4DRD3HRH3LMNA
SCHEMBL7449870 0.77 CA12 (0.50) HRH3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7387820 0.76 MAPT (0.53) HRH3LMNATAS1R3TAS1R1KDM4E
SCHEMBL7637918 0.76 FLT3 (0.61) TP53TAS1R3TAS1R1KDM4EALDH1A1
SCHEMBL7384685 0.74 GSK3B (0.49) DRD2DRD4DRD3HRH3LMNA
SCHEMBL8713054 0.72 RAB9A (0.47) DRD2DRD4DRD3TP53KDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5962695-A ANTICOAGULANT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-10-05 US disclosed
US-5866577-A AN ANTICOAGULANT AGENT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-02-02 US disclosed
US-5620991-A ANTICOAGULANTS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-04-15 US disclosed
US-5576343-A ANTICOAGULANTS; BLOOD-COAGULATION FACTOR X INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1996-11-19 US disclosed
EP-0540051-B1 Aromatic amidine derivatives and salts thereof DAIICHI SEIYAKU CO (JP) 1996-04-03 EP disclosed
EP-0540051-A1 Aromatic amidine derivatives and salts thereof DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1993-05-05 EP disclosed