SCHEMBL7380299

SCHEMBL7380299

COC(=O)c1cc2ccc(C#N)cc2n1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.54
KDM4E B2RXH2 3/20 0.49
TRPA1 O75762 1/20 0.44
CCR9 P51686 2/20 0.44
CYP11B2 P19099 2/20 0.42
CYP11B1 P15538 1/20 0.42
BRD1 O95696 1/20 0.42
BRPF1 P55201 1/20 0.42
BRD9 Q9H8M2 1/20 0.42
BRPF3 Q9ULD4 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
TDP2 O95551 4/20 0.41
ALB P02768 1/20 0.41
ROCK2 O75116 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NAMPT P43490 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
SCHEMBL9226534 0.89 L3MBTL1 (0.65) L3MBTL1KDM4ETRPA1CYP11B2CYP11B1
SCHEMBL327634 0.85 MAPT (0.51) KDM4ECCR9BRPF1LMNATDP2
SCHEMBL326814 0.84 MCL1 (0.57) KDM4ETRPA1CCR9TDP2ALB
SCHEMBL22369001 0.80 CCR9 (0.45) L3MBTL1KDM4ECCR9HTTTDP2
SCHEMBL3056564 0.79 L3MBTL1 (0.59) L3MBTL1KDM4ELMNAALDH1A1HPGD
SCHEMBL7881270 0.79 L3MBTL1 (0.59) L3MBTL1KDM4ELMNAALDH1A1HPGD
SCHEMBL30995153 0.78 CYP11B2 (0.48) L3MBTL1KDM4ECCR9CYP11B2CYP11B1
SCHEMBL2272634 0.78 L3MBTL1 (0.80) L3MBTL1KDM4ECCR9CYP11B2CYP11B1
SCHEMBL20618589 0.78 L3MBTL1 (0.57) L3MBTL1KDM4ELMNAALDH1A1HPGD
SCHEMBL3924468 0.78 L3MBTL1 (0.57) L3MBTL1KDM4ELMNAALDH1A1HPGD

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