SCHEMBL7367873

SCHEMBL7367873

CCCCOC(=O)[C@H](c1ccccc1)N(C)Cc1ccc2c(Cl)cnc(NC(=N)N)c2c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.33
ADORA1 P30542 2/20 0.33
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RORC P51449 2/20 0.32
EGFR P00533 2/20 0.32
KDR P35968 2/20 0.32
RORB Q92753 1/20 0.32
S1PR2 O95136 1/20 0.32
S1PR3 Q99500 1/20 0.32
BACE1 P56817 1/20 0.32
AURKA O14965 1/20 0.31
AURKB Q96GD4 1/20 0.31
SLC6A5 Q9Y345 1/20 0.31
C5 P01031 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
SCHEMBL6437525 0.87 PLAU (0.34) PLAURORCRORBS1PR2S1PR3
SCHEMBL7389838 0.86 OPRM1 (0.35) PLAUADORA1NPC1CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL6960293 0.86 PLAU (0.33) PLAURORCRORBS1PR2S1PR3
Trifluoroacetic Acid SCHEMBL6433381 0.83 PLAU (0.36) PLAUS1PR2S1PR3
SCHEMBL7373509 0.82 HCRTR2 (0.37) PLAURORCAURKAAURKB
SCHEMBL7390167 0.78 NPC1 (0.33) PLAUNPC1CYP1A2CYP2C9HPGD
SCHEMBL6435186 0.77 PLAU (0.57) PLAURORC
SCHEMBL7390699 0.76 GAA (0.44) RAB9A
SCHEMBL7367854 0.74 PPARG (0.42) PLAUNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL7365772 0.73 PRSS12 (0.37) PLAUNPC1HPGDRAB9ASMN1; SMN2

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 3 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
US-6093731-A Isoquinolines PFIZER INC. 2000-07-25 US disclosed