SCHEMBL4722869

SCHEMBL4722869

O=C(c1cccnc1F)N1CCN(c2ccc(Cl)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.58
SMN1; SMN2 Q16637 5/20 0.57
USP2 O75604 2/20 0.57
MAPK1 P28482 1/20 0.57
HSP90AA1 P07900 1/20 0.56
ALDH1A1 P00352 5/20 0.56
LMNA P02545 5/20 0.56
KDM4E B2RXH2 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
DRD4 P21917 1/20 0.53
DRD3 P35462 1/20 0.53
TP53 P04637 1/20 0.53
MAPT P10636 3/20 0.53
HTT P42858 1/20 0.52
MEN1 O00255 1/20 0.51
TSHR P16473 1/20 0.51
KMT2A Q03164 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51

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
SCHEMBL4718989 0.90 ALDH1A1 (0.53) SMN1; SMN2USP2MAPK1ALDH1A1LMNA
SCHEMBL8247070 0.90 SMN1; SMN2 (0.72) SMN1; SMN2USP2MAPK1HSP90AA1ALDH1A1
SCHEMBL4766135 0.87 USP2 (0.57) SMN1; SMN2USP2MAPK1ALDH1A1LMNA
SCHEMBL4719103 0.86 ABL1 (0.55) SMN1; SMN2USP2MAPK1ALDH1A1LMNA
SCHEMBL4722493 0.85 SMN1; SMN2 (0.54) AKR1C3SMN1; SMN2USP2MAPK1ALDH1A1
SCHEMBL8247829 0.84 USP2 (0.53) SMN1; SMN2USP2MAPK1ALDH1A1LMNA
SCHEMBL4722909 0.84 GAA (0.60) SMN1; SMN2USP2MAPK1ALDH1A1LMNA
SCHEMBL8240451 0.82 ALDH1A1 (0.60) SMN1; SMN2USP2MAPK1ALDH1A1LMNA
SCHEMBL8250360 0.82 MAPK1 (0.47) SMN1; SMN2USP2MAPK1ALDH1A1LMNA
SCHEMBL4721446 0.79 GAA (0.59) SMN1; SMN2USP2ALDH1A1LMNAKDM4E

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-1907363-A1 PHENYL SUBSTITUTED PIPERAZINE-DERIVATIVES AS INHIBITORS OF PLAMINOGENIC ACTIVATOR INHIBITORS-I (PAI-I) Bayer HealthCare AG (DE) 2008-04-09 EP disclosed
WO-2007009635-A1 PHENYL SUBSTITUTED PIPERAZINE-DERIVATIVES AS INHIBITORS OF PLAMINOGENIC ACTIVATOR INHIBITORS-I (PAI-I) BAYER HEALTHCARE AG (DE) 2007-01-25 WO disclosed
WO-2007009635-A1 PHENYL SUBSTITUTED PIPERAZINE-DERIVATIVES AS INHIBITORS OF PLAMINOGENIC ACTIVATOR INHIBITORS-I (PAI-I) BAYER HEALTHCARE AG (DE) 2007-01-25 WO disclosed