SCHEMBL8288594

SCHEMBL8288594

Cn1c(SCC(=O)Nc2sc3c(c2N)CCCC3)nnc1-c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.59
POLB P06746 4/20 0.59
ESR1 P03372 1/20 0.59
ALDH1A1 P00352 10/20 0.59
MAPT P10636 9/20 0.57
KMT2A Q03164 5/20 0.57
MEN1 O00255 4/20 0.57
GAA P10253 3/20 0.57
HSD17B10 Q99714 4/20 0.56
HPGD P15428 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
KDM4E B2RXH2 4/20 0.55
LMNA P02545 3/20 0.55
NPSR1 Q6W5P4 1/20 0.54
GLA P06280 1/20 0.54
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54
RAB9A P51151 2/20 0.52
USP2 O75604 2/20 0.52
ALOX15 P16050 1/20 0.51

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
SCHEMBL8288570 0.92 MAPT (0.59) TP53POLBESR1ALDH1A1MAPT
SCHEMBL21045548 0.88 ALDH1A1 (0.72) TP53POLBESR1ALDH1A1MAPT
SCHEMBL21082792 0.87 ALDH1A1 (0.62) TP53POLBESR1ALDH1A1MAPT
SCHEMBL8288704 0.80 ALDH1A1 (0.72) POLBALDH1A1MAPTKMT2AMEN1
SCHEMBL22692834 0.80 ALDH1A1 (0.68) POLBALDH1A1MAPTKMT2AMEN1
SCHEMBL21045380 0.80 MAPT (0.68) TP53POLBALDH1A1MAPTKMT2A
SCHEMBL4210260 0.79 POLB (0.74) POLBALDH1A1MAPTKMT2AMEN1
SCHEMBL21045545 0.79 ALDH1A1 (0.67) POLBALDH1A1MAPTKMT2AMEN1
SCHEMBL21045434 0.78 ALDH1A1 (0.68) POLBALDH1A1MAPTKMT2AMEN1
SCHEMBL21045485 0.78 ALDH1A1 (0.77) POLBALDH1A1MAPTKMT2AMEN1

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-2005033102-A2 THIOPHENE-BASED COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF AMPHORA DISCOVERY CORPORATION (US) 2005-04-14 WO disclosed