SCHEMBL29447100

SCHEMBL29447100

O=c1c2cc(O)c(Br)cc2ncn1CC(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.41
DDR1 Q08345 3/20 0.40
NFE2L2 Q16236 1/20 0.38
HDAC6 Q9UBN7 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
MCL1 Q07820 1/20 0.36
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RAB9A P51151 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34

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
SCHEMBL22323772 1.00 TNF (0.41) TNFDDR1NFE2L2HDAC6ALDH1A1
SCHEMBL4781320 0.81 HDAC6 (0.55) TNFHDAC6MAPK1KMT2AHDAC3
SCHEMBL22101746 0.78 LMNA (0.45) DDR1HDAC6ALDH1A1MAPK1MCL1
SCHEMBL22323975 0.78 HDAC6 (0.44) TNFDDR1NFE2L2HDAC6MCL1
SCHEMBL29447081 0.78 HDAC6 (0.44) TNFDDR1NFE2L2HDAC6MCL1
SCHEMBL22323977 0.74 L3MBTL1 (0.46) TNFHDAC6ALDH1A1L3MBTL1
SCHEMBL29447086 0.74 L3MBTL1 (0.46) TNFHDAC6ALDH1A1L3MBTL1
SCHEMBL22101195 0.72 ALDH1A1 (0.44) TNFHDAC6ALDH1A1MAPK1LMNA
SCHEMBL15680582 0.72 TNF (0.60) TNFHDAC6ALDH1A1MCL1LMNA
SCHEMBL15228456 0.71 SMN1; SMN2 (0.55) ALDH1A1LMNAMAPTKMT2ASMN1; 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
CN-114126613-A Methods and compositions for modulating splicing 斯基霍克疗法公司 2022-03-01 CN disclosed