SCHEMBL7820176

SCHEMBL7820176

CC(C)N1CCN(c2ccc(-c3nc4c(OC(=O)O)cccc4[nH]3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.49
AURKB Q96GD4 2/20 0.48
AURKA O14965 1/20 0.48
HPSE Q9Y251 1/20 0.45
DGAT1 O75907 8/20 0.45
PARP2 Q9UGN5 1/20 0.44
PRKD3 O94806 1/20 0.44
MAP4K4 O95819 1/20 0.44
PIM1 P11309 1/20 0.44
CLK2 P49760 1/20 0.44
MAP4K2 Q12851 1/20 0.44
CAMK2D Q13557 1/20 0.44
DYRK1A Q13627 1/20 0.44
PIM3 Q86V86 1/20 0.44
PRKD2 Q9BZL6 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
STK17A Q9UEE5 1/20 0.44
MAP4K5 Q9Y4K4 1/20 0.44
CHEK2 O96017 1/20 0.42
ACHE P22303 1/20 0.41

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
SCHEMBL6581325 0.91 PARP1 (0.53) PARP1AURKBAURKAHPSEDGAT1
SCHEMBL6584369 0.88 PARP1 (0.50) PARP1AURKBAURKAHPSEDGAT1
SCHEMBL7417491 0.83 NPY5R (0.45) PARP1PARP2
SCHEMBL7819660 0.83 AURKB (0.71) PARP1AURKBAURKAHPSEPRKD3
SCHEMBL3576975 0.82 PARP1 (0.72) PARP1AURKBAURKAPARP2
SCHEMBL6581301 0.81 AURKB (0.47) PARP1AURKBAURKAHPSEPRKD3
SCHEMBL7762915 0.81 MGAM (0.55) PARP1AURKBAURKAHPSEPARP2
SCHEMBL6581295 0.80 AURKB (0.56) PARP1AURKBAURKAHPSEPARP2
SCHEMBL3579915 0.78 PARP1 (0.67) PARP1AURKBAURKAPARP2
SCHEMBL6580718 0.77 AURKB (0.61) PARP1AURKBAURKAHPSEPRKD3

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-1127052-A1 SUBSTITUTED 2-PHENYLBENZIMIDAZOLES, THE PRODUCTION THEREOF AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 2001-08-29 EP disclosed
WO-2000026192-A1 SUBSTITUTED 2-PHENYLBENZIMIDAZOLES, THE PRODUCTION THEREOF AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 2000-05-11 WO disclosed