SCHEMBL5019710

SCHEMBL5019710

CCn1nnc(N2CCC(C)=C(c3ccc(NC(=O)c4cncc(F)c4C)cc3)C2)n1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.34
POLB P06746 2/20 0.33
PTPN11 Q06124 4/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
TSHR P16473 1/20 0.32
RAB9A P51151 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
SSTR2 P30874 1/20 0.32
KCNH2 Q12809 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP3A4 P08684 1/20 0.32
MTOR P42345 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.31

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
SCHEMBL5019719 0.92 MAPT (0.33) MAPTPOLBPTPN11ALDH1A1KDM4E
SCHEMBL4561040 0.90 KMT2A (0.35) MAPTPTPN11TSHRRAB9AKMT2A
SCHEMBL5019713 0.86 SMYD3 (0.37) MAPTPOLBPTPN11ALDH1A1HPGD
SCHEMBL5019621 0.86 KDM4E (0.38) MAPTPOLBALDH1A1KDM4EHPGD
SCHEMBL5019624 0.86 MAPT (0.40) MAPTPOLBPTPN11ALDH1A1SMN1; SMN2
SCHEMBL5019706 0.84 MAPT (0.33) MAPTPOLBPTPN11KMT2AKCNH2
SCHEMBL5019578 0.82 MAPT (0.36) MAPTPOLBPTPN11ALDH1A1SMN1; SMN2
SCHEMBL986998 0.80 STIM1 (0.42) PTPN11KMT2A
SCHEMBL5019751 0.79 RAB9A (0.38) MAPTPOLBPTPN11ALDH1A1KDM4E
SCHEMBL5019626 0.79 KDM4E (0.37) MAPTPOLBALDH1A1KDM4EHPGD

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-2012064808-A1 TETRAZOLYL - TETRAHYDROPYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE - RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2012-05-18 WO disclosed