SCHEMBL4739217

SCHEMBL4739217

O=C(c1ccsc1)N(Cc1ccc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)nc1)c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ATM Q13315 1/20 0.42
MAPK14 Q16539 4/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
CACNA2D1 P54289 2/20 0.38
CACNA1B Q00975 2/20 0.38
CACNB1 Q02641 2/20 0.38
CACNA1C Q13936 1/20 0.38
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
EP300 Q09472 1/20 0.36
OPRK1 P41145 2/20 0.36
OPRM1 P35372 1/20 0.36
RORC P51449 1/20 0.36
CXCR2 P25025 1/20 0.36
ME2 P23368 1/20 0.35
ME1 P48163 1/20 0.35

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
SCHEMBL4734903 0.89 KDM4E (0.41) MEN1KMT2AATMMAPK14ALDH1A1
SCHEMBL4734158 0.87 DRD4 (0.43) MEN1KMT2AMAPK14ALDH1A1KDM4E
SCHEMBL4736796 0.87 OPRM1 (0.49) ALDH1A1KDM4ETSHRMAPTOPRK1
SCHEMBL4734783 0.86 OPRM1 (0.40) MEN1KMT2AMAPK14ALDH1A1KDM4E
SCHEMBL4736577 0.86 TSHR (0.49) MEN1KMT2AATMMAPK14ALDH1A1
SCHEMBL4735549 0.86 MEN1 (0.43) MEN1KMT2AATMMAPK14ALDH1A1
SCHEMBL4786222 0.85 KDM4E (0.49) MEN1KMT2AMAPK14ALDH1A1KDM4E
SCHEMBL4738789 0.85 OPRM1 (0.49) ALDH1A1KDM4ETSHROPRK1OPRM1
SCHEMBL4737955 0.85 OPRM1 (0.43) MEN1KMT2AMAPK14ALDH1A1KDM4E
SCHEMBL4740309 0.83 LMNA (0.46) MEN1KMT2AATMMAPK14ALDH1A1

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