SCHEMBL7368535

SCHEMBL7368535

CC(C)(C)OC(=O)CN(Cc1ccccc1)Cc1ccc2c(NC(N)=NCl)cncc2c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 5/20 0.35
NR1H3 Q13133 1/20 0.35
PPARA Q07869 2/20 0.35
ROCK1 Q13464 1/20 0.34
AKT1 P31749 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
HTT P42858 1/20 0.33
BACE1 P56817 1/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32
PPARG P37231 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL7049646 0.85 PLAU (0.43) NR1D1ALDH1A1
SCHEMBL6434089 0.81 NR1D1 (0.36) NR1D1NR1H3PPARAAKT1PPARG
SCHEMBL7371411 0.80 MAPT (0.39) NR1D1CTSLCTSS
SCHEMBL7048344 0.79 PLAU (0.42) KDM4EALDH1A1HTT
SCHEMBL7375649 0.78 NR1D1 (0.35) NR1D1KDM4EALDH1A1
SCHEMBL7377977 0.78 PLAU (0.36) NR1D1KDM4EALDH1A1HTT
SCHEMBL7378343 0.78 PDE4A (0.41) NR1D1ALDH1A1
SCHEMBL7367643 0.78 ALDH1A1 (0.41) ALDH1A1
SCHEMBL7371892 0.78 TAS2R14 (0.40) KDM4EALDH1A1
SCHEMBL7050066 0.78 PLAU (0.39) ALDH1A1HTT

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