SCHEMBL7384685

SCHEMBL7384685

N#Cc1ccc2oc(C(=O)CBr)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.49
HRH3 Q9Y5N1 1/20 0.48
PLAU P00749 1/20 0.42
PIM1 P11309 1/20 0.42
CYP2A6 P11509 1/20 0.41
FLT3 P36888 2/20 0.41
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
BRCA1 P38398 1/20 0.39
CASP7 P55210 1/20 0.39

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
SCHEMBL1819421 0.81 PIM1 (0.58) HRH3PLAUPIM1CYP2A6FLT3
SCHEMBL7384075 0.80 ALDH1A1 (0.61) HRH3PLAUPIM1CYP2A6FLT3
SCHEMBL8713424 0.80 HRH3 (0.48) HRH3PLAUPIM1CYP2A6FLT3
SCHEMBL3721823 0.78 PIM1 (0.68) PIM1CYP2A6FLT3ALDH1A1LMNA
SCHEMBL2096338 0.77 NPC1 (0.54) GSK3BHRH3PIM1ALDH1A1TSHR
SCHEMBL18313582 0.77 ALDH1A1 (0.47) PIM1FLT3ALDH1A1TSHRMAPK1
SCHEMBL16708233 0.77 TAS1R3 (0.53) GSK3BPIM1FLT3ALDH1A1LMNA
SCHEMBL9231951 0.77 CA12 (0.46) HRH3PLAUCYP2A6FLT3ALDH1A1
SCHEMBL7449870 0.76 CA12 (0.50) HRH3ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL243970 0.74 FLT3 (0.65) FLT3ALDH1A1TSHRMAPK1KDM4E

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