SCHEMBL8250360

SCHEMBL8250360

O=C(c1cccnc1F)N1CCN(c2ccc(Cl)c(C(F)(F)F)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SCD O00767 1/20 0.47
NOTUM Q6P988 5/20 0.46
HSD11B1 P28845 1/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 2/20 0.46
HSD17B10 Q99714 2/20 0.46
HPGD P15428 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
USP2 O75604 1/20 0.45
MAPT P10636 1/20 0.45
CETP P11597 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PHGDH O43175 1/20 0.45

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
SCHEMBL4719103 0.88 ABL1 (0.55) MAPK1KDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL4722493 0.82 SMN1; SMN2 (0.54) MAPK1MEN1KMT2AKDM4EALDH1A1
SCHEMBL4722869 0.82 AKR1C3 (0.58) MAPK1MEN1KMT2AKDM4EALDH1A1
SCHEMBL4718989 0.82 ALDH1A1 (0.53) MAPK1MEN1KMT2AKDM4EALDH1A1
SCHEMBL4722342 0.81 MEN1 (0.71) MAPK1MEN1KMT2AKDM4EALDH1A1
SCHEMBL8247543 0.81 MEN1 (0.58) MAPK1MEN1KMT2ASCDKDM4E
SCHEMBL8239706 0.80 POLB (0.43) MEN1KMT2ANOTUMHSD11B1KDM4E
SCHEMBL8247070 0.79 SMN1; SMN2 (0.72) MAPK1MEN1KMT2AKDM4EALDH1A1
SCHEMBL4721325 0.79 HSD11B1 (0.59) SCDHSD11B1KDM4EALDH1A1SMN1; SMN2
SCHEMBL8240451 0.77 ALDH1A1 (0.60) MAPK1MEN1KMT2AKDM4EALDH1A1

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