SCHEMBL20684698

SCHEMBL20684698

CN(I)c1cccc(-c2ccccc2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
RAB9A P51151 3/20 0.56
ASIC3 Q9UHC3 1/20 0.47
HTR1A P08908 1/20 0.45
DRD2 P14416 1/20 0.45
HTR2A P28223 1/20 0.45
HTR7 P34969 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
USP2 O75604 1/20 0.43
TP53 P04637 1/20 0.43
PKM P14618 1/20 0.43
USP30 Q70CQ3 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37
CNR1 P21554 1/20 0.37
MAPT P10636 2/20 0.36

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
SCHEMBL18552370 0.84 MEN1 (0.60) MEN1KMT2ARAB9AASIC3HTR1A
SCHEMBL20684697 0.84 MEN1 (0.60) MEN1KMT2ARAB9AASIC3HTR1A
SCHEMBL19272769 0.77 MEN1 (0.50) MEN1KMT2ARAB9AASIC3HTR1A
SCHEMBL5115896 0.74 MEN1 (0.58) MEN1KMT2ARAB9AASIC3HTR1A
SCHEMBL58442 0.73 MEN1 (1.00) MEN1KMT2ARAB9AASIC3HTR1A
SCHEMBL24354803 0.73 MEN1 (0.50) MEN1KMT2ARAB9AASIC3HTR1A
SCHEMBL5914109 0.72 MEN1 (0.41) MEN1KMT2ARAB9AASIC3HTR1A
SCHEMBL5115890 0.72 MEN1 (0.59) MEN1KMT2ARAB9AASIC3HTR1A
SCHEMBL5945940 0.71 MEN1 (0.94) MEN1KMT2ARAB9AASIC3HTR1A
SCHEMBL16077969 0.71 MEN1 (0.94) MEN1KMT2ARAB9AASIC3HTR1A

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
EP-3133078-B1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2019-01-30 EP disclosed