SCHEMBL6982167

SCHEMBL6982167

CCOC(=O)C(Nc1ccc2c(c1)CCCN2C(=O)CCc1ccc(C(=N)N)cc1)S(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.44
NR3C1 P04150 3/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PLG P00747 2/20 0.40
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
F2 P00734 4/20 0.39
PRSS1 P07477 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39
PLAU P00749 1/20 0.38
PLAT P00750 1/20 0.38
MCL1 Q07820 1/20 0.38
POLB P06746 1/20 0.37

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
Iodide SCHEMBL7956640 0.99 F10 (0.44) F10NR3C1ALDH1A1LMNAHPGD
SCHEMBL6982164 0.83 F10 (0.44) F10NR3C1ALDH1A1LMNANPSR1
Hydrochloric Acid SCHEMBL6977280 0.83 NR3C1 (0.61) F10NR3C1ALDH1A1LMNAHPGD
Iodide SCHEMBL7964299 0.82 PARP1 (0.39) F10NR3C1ALDH1A1LMNAHPGD
SCHEMBL6978677 0.80 NR3C1 (0.40) F10NR3C1ALDH1A1PLGF2
SCHEMBL7958935 0.80 F10 (0.41) F10NR3C1ALDH1A1HPGDPLG
Hydrochloric Acid SCHEMBL6985449 0.79 NR3C1 (0.40) F10NR3C1ALDH1A1PLGF2
Iodide SCHEMBL7960088 0.79 ALDH1A1 (0.41) F10NR3C1ALDH1A1LMNAHPGD
SCHEMBL6976365 0.79 NR3C1 (0.45) F10NR3C1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL7089726 0.79 FFAR1 (0.47) F10NR3C1ALDH1A1F2PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0991624-B1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA (DE) 2003-11-19 EP disclosed
US-6300342-B1 FOR THERAPY OR INHIBITING THROMBUS FORMATION; FOR THERAPY OF FIBRIN-DEPENDENT INFLAMMATORY CONDITION BOEHRINGER INGELHEIM PHARM KG (DE) 2001-10-09 US disclosed