SCHEMBL3432608

SCHEMBL3432608

CCCCCC/N=C1/NC(=O)CS1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 1.00
LMNA P02545 1/20 1.00
TDP1 Q9NUW8 2/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA7 P43166 1/20 0.45
MAPT P10636 4/20 0.41
HPGD P15428 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 7/20 0.39
USP2 O75604 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL7187532 0.98 KDM4E (0.97) KDM4ELMNATDP1CA1CA2
SCHEMBL2593142 0.98 KDM4E (0.97) KDM4ELMNATDP1CA1CA2
SCHEMBL2593144 0.98 KDM4E (0.97) KDM4ELMNATDP1CA1CA2
SCHEMBL5717320 0.86 KDM4E (0.75) KDM4ELMNATDP1CA1CA2
SCHEMBL5717324 0.86 KDM4E (0.75) KDM4ELMNATDP1CA1CA2
SCHEMBL16178828 0.83 KDM4E (0.71) KDM4ELMNATDP1CA1CA2
SCHEMBL5717407 0.78
SCHEMBL7180702 0.68 KDM4E (0.51) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL5961659 0.68 KDM4E (0.51) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL5961657 0.68 KDM4E (0.51) KDM4ELMNAMAPTALDH1A1SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012002568-A1 AZAINDOLE DERIVATIVE SBI BIOTECH CO., LTD. (JP) 2012-01-05 WO disclosed
WO-2010122979-A1 THIAZOLIDINONE DERIVATIVE SBIバイオテック株式会社 (JP) 2010-10-28 WO disclosed