SCHEMBL20599778

SCHEMBL20599778

O=c1[nH]nnn1Cc1ccc(I)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
HTR2C P28335 1/20 0.35
PFKFB3 Q16875 1/20 0.34
IDO1 P14902 1/20 0.33
FAAH O00519 2/20 0.32
HTT P42858 4/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TDO2 P48775 1/20 0.31
MGLL Q99685 1/20 0.31
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
LMNA P02545 1/20 0.30
MITF O75030 1/20 0.30
PKM P14618 1/20 0.30
RAB9A P51151 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL5906231 0.84 LMNA (0.44) HTR2CHTTMEN1KMT2ATDO2
SCHEMBL5906391 0.83 PKM (0.46) IDO1HTTMEN1KMT2ATDO2
SCHEMBL29922845 0.79 CMA1 (0.51) MEN1KMT2AALDH1A1PKM
SCHEMBL7984884 0.78 LMNA (0.48) MEN1KMT2ALMNA
SCHEMBL30626656 0.71 IDO1 (0.50) IDO1MEN1KMT2ATDO2SMN1; SMN2
SCHEMBL7785772 0.70 DAO (0.48) DAOHTTALDH1A1LMNA
SCHEMBL7984642 0.70
SCHEMBL8684823 0.69
SCHEMBL8603321 0.66
SCHEMBL11518915 0.66 MAPT (0.46) DAOHTTMEN1KMT2AMGLL

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-2019002158-A1 SUBSTITUTED TRIFLUOROMETHYLOXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2019-01-03 WO disclosed