SCHEMBL28558155

SCHEMBL28558155

O=[N+]([O-])c1ccc(-n2ccc(I)n2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.66
MAPT P10636 7/20 0.44
FAAH O00519 1/20 0.42
MGLL Q99685 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NFKB1 P19838 1/20 0.41
CASP3 P42574 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
POLB P06746 2/20 0.40
SIRT6 Q8N6T7 2/20 0.40
ADORA3 P0DMS8 1/20 0.40

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
SCHEMBL9769314 0.83 HTT (0.66) HTTMAPTFAAHMGLLMEN1
SCHEMBL29218271 0.81 KEAP1 (0.50) HTTMAPTMEN1KMT2ALMNA
SCHEMBL9369399 0.81 HTT (0.68) HTTMAPTFAAHMGLLMEN1
SCHEMBL15352874 0.79 HTT (0.66) HTTMAPTFAAHMGLLMEN1
SCHEMBL18758370 0.79 HTT (0.66) HTTMAPTFAAHMGLLMEN1
SCHEMBL19456984 0.79 HTT (1.00) HTTMAPTMEN1KMT2ANPC1
SCHEMBL27887583 0.78 HTT (0.59) HTTMAPTFAAHMGLLMEN1
SCHEMBL19457078 0.77 HTT (0.67) HTTMAPTFAAHMGLLMEN1
SCHEMBL31274003 0.77 HTT (0.62) HTTMAPTFAAHMGLLMEN1
SCHEMBL28354521 0.76 HTT (0.65) HTTMAPTMEN1KMT2ANPC1

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
CN-107459521-B Novel inhibitors of FLT3 kinase and uses thereof 合肥中科普瑞昇生物医药科技有限公司 2021-04-16 CN disclosed