SCHEMBL20053530

SCHEMBL20053530

O=C(I)N/N=C/c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.71
KMT2A Q03164 5/20 0.71
RAB9A P51151 5/20 0.57
NPC1 O15118 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
G6PD P11413 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
HDAC3 O15379 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
NCOR2 Q9Y618 1/20 0.53
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
THRB P10828 1/20 0.51
POLB P06746 1/20 0.51
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50

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
SCHEMBL31588094 0.83 MEN1 (0.77) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL4115183 0.83 MEN1 (0.77) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL9067815 0.83 MEN1 (1.00) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL4115180 0.83 MEN1 (0.77) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL333482 0.83 MEN1 (1.00) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL78287 0.83 MEN1 (1.00) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL549490 0.83 MEN1 (1.00) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL13496984 0.80 MEN1 (0.71) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL28645597 0.80 MEN1 (0.71) MEN1KMT2ARAB9ANPC1SMN1; SMN2
Phenylsemicarbazone SCHEMBL11882629 0.80 MEN1 (0.71) MEN1KMT2ARAB9ANPC1SMN1; SMN2

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
US-9943506-B2 BCL6 inhibitors as anticancer agents CORNELL UNIVERSITY (US) 2018-04-17 US disclosed