SCHEMBL22129138

SCHEMBL22129138

O=C(Nc1cccnc1Nc1ccccc1)c1ccc(Br)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
TDP1 Q9NUW8 1/20 0.59
MAPT P10636 2/20 0.53
CYP11B1 P15538 1/20 0.53
CYP11B2 P19099 1/20 0.53
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
TP53 P04637 1/20 0.52
DHODH Q02127 2/20 0.50
KDR P35968 1/20 0.49
TRPV1 Q8NER1 1/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
HDAC6 Q9UBN7 2/20 0.47
TLR7 Q9NYK1 2/20 0.47
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
NCOR2 Q9Y618 1/20 0.46

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
SCHEMBL31454188 1.00 MEN1 (0.59) MEN1KMT2ATDP1MAPTCYP11B1
SCHEMBL13998762 0.89 MEN1 (0.56) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL13998768 0.88 MEN1 (0.52) MEN1KMT2ATDP1MAPTALDH1A1
SCHEMBL339194 0.82 MEN1 (0.71) MEN1KMT2ATDP1MAPTCYP11B1
SCHEMBL22129130 0.79 TDP1 (0.69) MEN1KMT2ATDP1MAPTCYP11B1
SCHEMBL18875295 0.78 MEN1 (0.49) MEN1KMT2ATDP1MAPTALDH1A1
SCHEMBL13852143 0.77 TDP1 (0.68) MEN1KMT2ATDP1MAPTCYP11B1
SCHEMBL12946208 0.77 MEN1 (0.69) MEN1KMT2ATDP1MAPTCYP11B1
SCHEMBL7153414 0.77 HDAC1 (0.48) MEN1KMT2ATDP1MAPTALDH1A1
SCHEMBL22129133 0.76 CYP11B1 (0.60) MEN1KMT2ATDP1CYP11B1CYP11B2

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
US-20200203630-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME Research & Business Foundation Sungkyunkwan University (KR) 2020-06-25 US disclosed
US-20200203630-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME Research & Business Foundation Sungkyunkwan University (KR) 2020-06-25 US disclosed