SCHEMBL11325672

SCHEMBL11325672

O=C1NCCC1=Cc1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.56
AKR1C1 Q04828 1/20 0.56
PIM1 P11309 1/20 0.51
PIM2 Q9P1W9 1/20 0.51
MAOB P27338 6/20 0.47
GSK3B P49841 1/20 0.47
MYC P01106 1/20 0.46
NAT1 P18440 1/20 0.46
MAX P61244 1/20 0.46
F7 P08709 1/20 0.46
PARP1 P09874 1/20 0.46
F3 P13726 1/20 0.46
PARP10 Q53GL7 1/20 0.46
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
PDE4B Q07343 1/20 0.44
EGFR P00533 1/20 0.43
MAOA P21397 1/20 0.42
ACHE P22303 1/20 0.42

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
SCHEMBL5752280 0.81 HSD11B1 (0.61) PIM1PIM2NAT1PARP1PARP10
SCHEMBL5752284 0.81 HSD11B1 (0.61) PIM1PIM2NAT1PARP1PARP10
SCHEMBL15828902 0.81 KMT2A (0.58) PIM1PIM2MAOBPARP1PARP10
SCHEMBL8828528 0.81 HSD11B1 (0.61) PIM1PIM2NAT1PARP1PARP10
SCHEMBL11325775 0.81 CYP1A2 (0.59) PIM1PIM2MAOBNAT1PARP1
SCHEMBL8883177 0.81 CYP1A2 (0.59) PIM1PIM2MAOBNAT1PARP1
SCHEMBL9139338 0.79 MIF (0.48) MAOBPARP1MAPTPDE4BMAOA
SCHEMBL9139342 0.79 MIF (0.48) MAOBPARP1MAPTPDE4BMAOA
SCHEMBL15940018 0.77 MEN1 (0.53) AKR1C3AKR1C1PIM1PIM2MAOB
SCHEMBL15940019 0.77 MEN1 (0.53) AKR1C3AKR1C1PIM1PIM2MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4294827-A CEPHALOSPORINS OR PENICILLINS BAYER AKTIENGESELLSCHAFT (DE) 1981-10-13 US disclosed