SCHEMBL5019713

SCHEMBL5019713

CCn1nnc(N2CCC(C)=C(c3ccc(NC(=O)c4cnccc4C)cc3)C2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
ACKR3 P25106 1/20 0.34
NAMPT P43490 2/20 0.34
POLB P06746 1/20 0.34
PIK3CA P42336 2/20 0.34
MTOR P42345 2/20 0.34
PIK3CG P48736 2/20 0.34
PTPN11 Q06124 2/20 0.34
TYK2 P29597 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
TSHR P16473 1/20 0.33
CSNK1D P48730 1/20 0.33

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
SCHEMBL5019765 0.90 CSNK1D (0.37) SMYD3HPGDMAPTSMN1; SMN2RAB9A
SCHEMBL5019624 0.87 MAPT (0.40) MAPTSMN1; SMN2ACKR3POLBMTOR
SCHEMBL5019710 0.86 MAPT (0.34) HPGDALOX15HSD17B10MAPTSMN1; SMN2
SCHEMBL5019578 0.85 MAPT (0.36) MAPTSMN1; SMN2RAB9ANPC1POLB
SCHEMBL5019719 0.85 MAPT (0.33) HPGDALOX15HSD17B10MAPTSMN1; SMN2
SCHEMBL5019602 0.83 SMYD3 (0.36) SMYD3HPGDMAPTSMN1; SMN2ACKR3
SCHEMBL5019605 0.82 L3MBTL1 (0.35) HPGDMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL5019621 0.82 KDM4E (0.38) HPGDHSD17B10MAPTSMN1; SMN2RAB9A
SCHEMBL5019613 0.81 CSNK1D (0.38) SMYD3HPGDMAPTSMN1; SMN2ACKR3
SCHEMBL1781495 0.79 RAB9A (0.38) HPGDMAPTRAB9ANPC1PTPN11

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