SCHEMBL14780813

SCHEMBL14780813

C=C1OCC(n2c(-c3cc(C(C)C)c(OCOC)cc3OCOC)n[nH]c2=S)CO1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 3/20 0.32
LMNA P02545 2/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GFER P55789 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30

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
SCHEMBL14029909 0.87 HPGD (0.38) HPGDGAAMAPTSMN1; SMN2ALDH1A1
SCHEMBL14029805 0.77 POLB (0.43) HPGDGAAMAPTSMN1; SMN2ALDH1A1
SCHEMBL5002702 0.77 TDP1 (0.43) HPGDGAASMN1; SMN2ALDH1A1LMNA
SCHEMBL14029900 0.76 HSP90AB1 (0.35) HSP90AA1HSP90AB1
SCHEMBL4999280 0.73 HPGD (0.49) HPGDGAASMN1; SMN2ALDH1A1LMNA
SCHEMBL5002786 0.72 HSP90AA1 (0.44) HPGDGAASMN1; SMN2ALDH1A1LMNA
SCHEMBL14924954 0.71 POLB (0.42) HPGDGAAMAPTSMN1; SMN2ALDH1A1
SCHEMBL5002796 0.71 ADAM17 (0.47) HPGDGAAMAPTSMN1; SMN2ALDH1A1
SCHEMBL14029905 0.71 KMT2A (0.41) HPGDGAASMN1; SMN2ALDH1A1LMNA
SCHEMBL5006434 0.70 CHRNE (0.52) HPGDGAAMAPTSMN1; SMN2ALDH1A1

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
US-8399464-B2 using a triazole compound; anticancer agent NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-03-19 US disclosed