SCHEMBL7367639

SCHEMBL7367639

COc1ccc(CN(CC(=O)OC(C)(C)C)S(=O)(=O)c2ccc3c(N(Cl)C(=N)N)cncc3c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
BMP1 P13497 1/20 0.39
TAS2R14 Q9NYV8 9/20 0.38
MEP1B Q16820 1/20 0.38
PTGER2 P43116 2/20 0.38
PTGES O14684 1/20 0.37
TAS2R8 Q9NYW2 1/20 0.37
CXCR3 P49682 1/20 0.37
MMP3 P08254 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL7049621 0.91 PLAU (0.42) ALDH1A1TAS2R14
SCHEMBL7377975 0.91 PLAU (0.36) ALDH1A1BMP1PTGER2
Hydrochloric Acid SCHEMBL7371889 0.91 TAS2R14 (0.41) ALDH1A1TAS2R14MEP1BPTGER2CXCR3
SCHEMBL6440602 0.90 KEAP1 (0.45) ALDH1A1TAS2R14MEP1BPTGESTAS2R8
SCHEMBL6434466 0.90 NR1D1 (0.35)
SCHEMBL7378340 0.88 PDE4A (0.42) ALDH1A1PTGER2CXCR3LMNA
Hydrochloric Acid SCHEMBL7371405 0.86 PLAU (0.38) TAS2R14PTGER2CXCR3LMNA
SCHEMBL6436322 0.85 NR1D1 (0.37) TAS2R14LMNATSHR
SCHEMBL7378426 0.84 PDE4A (0.39) ALDH1A1CXCR3LMNA
SCHEMBL7050063 0.84 PLAU (0.38) ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242120-A2 COMBINATIONS OF GROWTH FACTORS AND I:UPA OR I:MMP FOR THE TREATMENT OF DAMAGED TISSUE Pfizer Limited (GB) 2002-09-25 EP disclosed
WO-2001049309-A2 COMBINATIONS OF GROWTH FACTORS AND I: UPA OR I: MMP FOR THE TREATMENT OF DAMAGED TISSUE PFIZER LIMITED (GB) 2001-07-12 WO disclosed
EP-1077945-A1 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER INC. (US) 2001-02-28 EP disclosed
WO-2000005214-A2 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER INC. (US) 2000-02-03 WO disclosed