SCHEMBL7384075

SCHEMBL7384075

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
KDM4E B2RXH2 2/20 0.61
GAA P10253 2/20 0.61
HSD17B10 Q99714 2/20 0.61
LMNA P02545 2/20 0.61
GLA P06280 1/20 0.61
HPGD P15428 1/20 0.61
CASP1 P29466 1/20 0.61
BRCA1 P38398 1/20 0.61
CASP7 P55210 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
HRH3 Q9Y5N1 1/20 0.48
CYP2A6 P11509 1/20 0.45
PLAU P00749 1/20 0.44
FLT3 P36888 3/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
ALOX12 P18054 1/20 0.44
KMT2A Q03164 1/20 0.44

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 0.85 PIM1 (0.58) ALDH1A1KDM4EGAAHSD17B10LMNA
SCHEMBL8713424 0.84 HRH3 (0.48) ALDH1A1KDM4EGAAHSD17B10LMNA
SCHEMBL9231951 0.83 CA12 (0.46) ALDH1A1KDM4EGAAHSD17B10LMNA
SCHEMBL7389709 0.81 DRD2 (0.44) ALDH1A1KDM4EGAAHSD17B10LMNA
SCHEMBL7384685 0.80 GSK3B (0.49) ALDH1A1KDM4EGAAHSD17B10LMNA
SCHEMBL7449870 0.80 CA12 (0.50) ALDH1A1KDM4EHSD17B10HPGDHRH3
SCHEMBL20136020 0.78 KDM4E (0.53) ALDH1A1KDM4EGAAHSD17B10LMNA
SCHEMBL27690690 0.77 FLT3 (0.62) ALDH1A1KDM4EGAAHSD17B10LMNA
SCHEMBL7387820 0.77 MAPT (0.53) ALDH1A1KDM4EHSD17B10LMNAHPGD
SCHEMBL3488095 0.76 FLT3 (0.73) ALDH1A1KDM4EGAAHSD17B10LMNA

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