Iodomethane

Iodomethane

SCHEMBL5739657

CI.COC(=O)c1ccc(Br)cc1F

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.56
NR4A2 P43354 1/20 0.49
ALDH1A1 P00352 4/20 0.48
GAA P10253 4/20 0.48
NPC1 O15118 1/20 0.48
LMNA P02545 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
SLC6A3 Q01959 1/20 0.44
FLT1 P17948 1/20 0.43
FLT4 P35916 1/20 0.43
KDR P35968 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK4 Q16654 1/20 0.43

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
SCHEMBL206342 0.96 DGAT1 (0.59) DGAT1NR4A2ALDH1A1GAANPC1
SCHEMBL21839189 0.85 SLC6A3 (0.51) DGAT1NR4A2ALDH1A1GAANPC1
SCHEMBL30546048 0.82 NR4A2 (0.51) DGAT1NR4A2ALDH1A1GAANPC1
SCHEMBL1476688 0.82 NR4A2 (0.51) DGAT1NR4A2ALDH1A1GAANPC1
SCHEMBL29773857 0.80 NR4A2 (0.56) NR4A2ALDH1A1GAASMN1; SMN2L3MBTL1
SCHEMBL4577829 0.80 NR4A2 (0.56) NR4A2ALDH1A1GAASMN1; SMN2L3MBTL1
SCHEMBL23063802 0.79 SLC6A3 (0.49) DGAT1NR4A2NPC1RAB9ASMN1; SMN2
SCHEMBL31253108 0.79 SLC6A3 (0.49) DGAT1NR4A2NPC1RAB9ASMN1; SMN2
SCHEMBL2365984 0.79 NR4A2 (0.51) NR4A2ALDH1A1GAARAB9AL3MBTL1
SCHEMBL5734786 0.79 MAP2K1 (0.47) ALDH1A1GAACA12CA1CA2

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
EP-1636192-A1 3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS Nissan Chemical Industries, Ltd. (JP) 2006-03-22 EP disclosed
WO-2004108683-A1 3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2004-12-16 WO disclosed