Iodomethane

Iodomethane

SCHEMBL3389060

CI.COC(=O)c1nn(C)c(C(C)C)c1[N+](=O)[O-]

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 5/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
NPC1 O15118 1/20 0.36
RECQL P46063 1/20 0.36
CYP1A2 P05177 1/20 0.36
GAA P10253 2/20 0.35
PKM P14618 2/20 0.35
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
HPGD P15428 1/20 0.33

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
SCHEMBL2911330 0.82 ALDH1A1 (0.39) MEN1KMT2ASMN1; SMN2ALDH1A1NPSR1
SCHEMBL6690449 0.81 SMN1; SMN2 (0.43) MEN1KMT2ASMN1; SMN2ALDH1A1NPSR1
SCHEMBL7005474 0.77 MEN1 (0.53) MEN1KMT2ASMN1; SMN2NPSR1MAPT
SCHEMBL21625506 0.75 PKM (0.41) MEN1KMT2ASMN1; SMN2ALDH1A1NPSR1
SCHEMBL6999112 0.75 MEN1 (0.51) MEN1KMT2ASMN1; SMN2NPSR1MAPT
SCHEMBL3391121 0.74 NPSR1 (0.39) KMT2ASMN1; SMN2ALDH1A1NPSR1MAPT
SCHEMBL7001014 0.74 MEN1 (0.50) MEN1KMT2ASMN1; SMN2ALDH1A1NPSR1
Hydrochloric Acid SCHEMBL7001018 0.74 MEN1 (0.50) MEN1KMT2ASMN1; SMN2NPSR1MAPT
SCHEMBL6997732 0.74 SMN1; SMN2 (0.56) MEN1KMT2ASMN1; SMN2MAPTCYP1A2
SCHEMBL7003999 0.71 MEN1 (0.50) MEN1KMT2ASMN1; SMN2NPSR1MAPT

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-2010043633-A1 2H-PYRAZOLO [4,3-D]PYRIMIDIN-5-AMINE DERIVATIVES AS H4 HISTAMINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF ALLERGIC, IMMUNOLOGICAL AND INFLAMMATORY DISEASES PALAU PHARMA, S. A. (ES) 2010-04-22 WO disclosed