SCHEMBL4737079

SCHEMBL4737079

O=C(c1ccnnc1)N(Cc1csc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)n1)c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CACNA2D1 P54289 1/20 0.38
CACNA1B Q00975 1/20 0.38
CACNB1 Q02641 1/20 0.38
CACNA1C Q13936 1/20 0.38
ATM Q13315 1/20 0.38
CXCR2 P25025 2/20 0.37
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
MAPK14 Q16539 4/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TSHR P16473 1/20 0.35
GAA P10253 1/20 0.34
MAOB P27338 1/20 0.34
HTT P42858 1/20 0.34
OPRD1 P41143 1/20 0.34

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
SCHEMBL4737963 0.89 MEN1 (0.39) MEN1KMT2ACXCR2MAPTRECQL
SCHEMBL4738694 0.86 ACHE (0.43) MAPTMAPK14ALDH1A1KDM4ETSHR
SCHEMBL4735240 0.86 KDM4E (0.44) MEN1KMT2ACXCR2MAPK14ALDH1A1
SCHEMBL4739654 0.86 LMNA (0.38) MEN1KMT2ACXCR2MAPTRECQL
SCHEMBL4738359 0.85 LMNA (0.41) MEN1KMT2ACXCR2MAPTALDH1A1
SCHEMBL4734180 0.85 KDM4E (0.41) MAPK14ALDH1A1KDM4ETSHR
SCHEMBL4739647 0.84 AR (0.43) MAPTRECQLALDH1A1KDM4EGAA
SCHEMBL4737001 0.83 CYP3A4 (0.37) MEN1KMT2AMAPTALDH1A1TSHR
SCHEMBL3061742 0.82 MEN1 (0.40) MEN1KMT2ACACNA2D1CACNA1BCACNB1
SCHEMBL4735114 0.81 SMN1; SMN2 (0.41) MEN1KMT2AMAPTMAPK14ALDH1A1

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-2008073461-A2 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO claimed