SCHEMBL8250463

SCHEMBL8250463

O=C(O)c1ccc(Oc2cc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)ccn2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.60
MAPT P10636 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
NPSR1 Q6W5P4 2/20 0.60
CYP3A4 P08684 1/20 0.60
GAA P10253 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
POLB P06746 1/20 0.58
ENPP2 Q13822 2/20 0.53
SERPINE1 P05121 1/20 0.53
TSHR P16473 4/20 0.52
LMNA P02545 3/20 0.52
ALDH1A1 P00352 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ATM Q13315 1/20 0.52
PHGDH O43175 1/20 0.51
MAPK1 P28482 1/20 0.50

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
SCHEMBL4761009 0.83 MEN1 (0.56) HTTMAPTSMN1; SMN2NPSR1CYP3A4
SCHEMBL4719711 0.80 KMT2A (0.73) HTTMAPTSMN1; SMN2NPSR1GAA
SCHEMBL4320008 0.77 LOXL2 (0.59) LMNAMAPK1
SCHEMBL30883140 0.77 SERPINE1 (0.61) HTTMAPTSMN1; SMN2NPSR1KMT2A
SCHEMBL4762716 0.76 SMN1; SMN2 (0.51) HTTMAPTSMN1; SMN2NPSR1CYP3A4
SCHEMBL18983674 0.74 KMT2A (0.70) HTTMAPTSMN1; SMN2NPSR1CYP3A4
SCHEMBL912369 0.74 MAPT (0.55) HTTMAPTSMN1; SMN2NPSR1CYP3A4
SCHEMBL28087592 0.73 ALDH1A1 (0.47) HTTMAPTSMN1; SMN2NPSR1GAA
SCHEMBL8249882 0.73 KMT2A (0.57) HTTMAPTSMN1; SMN2NPSR1GAA
SCHEMBL9639996 0.73 KMT2A (0.69) HTTSMN1; SMN2NPSR1GAAKMT2A

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
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