SCHEMBL5019681

SCHEMBL5019681

CCC1=C(c2ccc(NC(=O)c3cccc(F)c3F)cc2)CN(c2nnn(CF)n2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.36
KDM4E B2RXH2 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 3/20 0.36
AURKA O14965 2/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
MAPT P10636 3/20 0.35
TP53 P04637 2/20 0.35
MCL1 Q07820 1/20 0.35
LCLAT1 Q6UWP7 1/20 0.35
HSD17B10 Q99714 1/20 0.34
JAK1 P23458 1/20 0.34
CHRNA7 P36544 3/20 0.34
KCNH2 Q12809 3/20 0.34
CRACR2A Q9BSW2 2/20 0.34
AURKB Q96GD4 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
SCHEMBL5019601 0.94 SMN1; SMN2 (0.37) SMN1; SMN2KDM4EMEN1KMT2APOLB
SCHEMBL5019723 0.91 KMT2A (0.40) SMN1; SMN2KDM4EMEN1KMT2APOLB
SCHEMBL5019626 0.90 KDM4E (0.37) SMN1; SMN2KDM4EMEN1KMT2APOLB
SCHEMBL15356912 0.86 KMT2A (0.31) KMT2A
SCHEMBL5019621 0.85 KDM4E (0.38) SMN1; SMN2KDM4EMEN1KMT2APOLB
SCHEMBL5019751 0.84 RAB9A (0.38) SMN1; SMN2KDM4EMEN1KMT2APOLB
SCHEMBL5019577 0.81 KDM4E (0.38) SMN1; SMN2KDM4EMEN1KMT2APOLB
SCHEMBL5019638 0.80 KMT2A (0.41) SMN1; SMN2KMT2APOLBALDH1A1AURKA
SCHEMBL5019600 0.78 JAK1 (0.37) SMN1; SMN2KDM4EMEN1KMT2APOLB
SCHEMBL15356919 0.77 KMT2A (0.32) KDM4EKMT2AMAPTTP53HSD17B10

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