SCHEMBL9706738

SCHEMBL9706738

O=C(O)CSc1ncncn1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.49
KMT2A Q03164 1/20 0.48
CXCL12 P48061 1/20 0.46
POLB P06746 2/20 0.45
RAB9A P51151 1/20 0.45
FFAR1 O14842 1/20 0.43
GRK6 P43250 1/20 0.42
PHGDH O43175 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
HIF1A Q16665 1/20 0.41
ALOX5 P09917 1/20 0.41
PPARG P37231 1/20 0.41
NOTUM Q6P988 2/20 0.40
APEX1 P27695 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL1286047 0.80 ALOX15 (0.59) ALOX15KMT2ACXCL12FFAR1ALDH1A1
SCHEMBL9083870 0.79 ALDH1A1 (0.47) KMT2APOLBALDH1A1APEX1KDM4E
Hydrochloric Acid SCHEMBL1374154 0.78 ALOX15 (0.58) ALOX15KMT2ACXCL12FFAR1ALDH1A1
SCHEMBL9084114 0.76 ALDH1A1 (0.50) ALDH1A1CYP1A2APEX1
SCHEMBL13980944 0.75 ALOX15 (0.50) ALOX15KMT2ACXCL12POLBRAB9A
SCHEMBL726341 0.72
SCHEMBL4039887 0.71 L3MBTL1 (0.56) ALOX15CXCL12POLBRAB9AFFAR1
SCHEMBL6722316 0.71 MEN1 (0.65) KMT2ACXCL12POLBRAB9AALDH1A1
SCHEMBL11074847 0.70 ALOX15 (0.66) ALOX15KMT2ACXCL12POLBRAB9A
SCHEMBL5912924 0.69 POLB (0.47) ALOX15KMT2ACXCL12POLBRAB9A

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-1992010484-A1 HERBICIDES SCHERING AGROCHEMICALS LIMITED (GB) 1992-06-25 WO disclosed