SCHEMBL7389945

SCHEMBL7389945

COc1cc(C#N)cc2cc(CO)oc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.36
KDM4E B2RXH2 5/20 0.35
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
HPGDS O60760 1/20 0.35
PIM1 P11309 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
ALDH1A1 P00352 2/20 0.34
CTDSP1 Q9GZU7 1/20 0.33
ALOX15 P16050 1/20 0.33
GAA P10253 2/20 0.33
AR P10275 2/20 0.33

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
SCHEMBL7392743 0.85 HPGDS (0.35) SLC22A12ESR1ESR2HPGDSPIM1
SCHEMBL118295 0.78 SLC22A12 (0.42) SLC22A12KDM4EESR1ESR2PIM1
SCHEMBL11886563 0.78 ADORA3 (0.39) KDM4EESR1ESR2PIM1CHRM2
SCHEMBL26244601 0.78 CHRM2 (0.51) KDM4EESR1ESR2PIM1CHRM2
Hydrochloric Acid SCHEMBL7388889 0.76 AR (0.34) SLC22A12KDM4EHPGDSALDH1A1GAA
SCHEMBL7390366 0.73 MAPT (0.45) SLC22A12KDM4EPIM1PDE4APDE4B
SCHEMBL73352 0.72 LMNA (0.56) KDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL21230748 0.72 KDM4E (0.51) KDM4EPDE4APDE4BPDE4CPDE4D
SCHEMBL14153892 0.70 XDH (0.50) KDM4EPDE4APDE4BPDE4CPDE4D
SCHEMBL21224333 0.69 SLC22A12 (0.34) SLC22A12ESR1ESR2PIM1CHRM2

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