SCHEMBL20877150

SCHEMBL20877150

COC(=O)c1cc(OCc2ccccc2)c2c(Br)cccc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 1/20 0.46
▸ NOTUM Q6P988 1/20 0.44
▸ LMNA P02545 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ MAPT P10636 3/20 0.42
▸ TP53 P04637 1/20 0.42
▸ STAT3 P40763 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ SMPD1 P17405 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ STAT1 P42224 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KMT2A Q03164 1/20 0.42

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
SCHEMBL31389266 0.83 ALOX15 (0.55) NOTUMLMNAHPGDMAPTTP53
SCHEMBL6079903 0.82 ALDH1A1 (0.44) NOTUMLMNAHPGDMAPTTP53
SCHEMBL31389313 0.81 ALOX15 (0.47) MAPTTP53SMN1; SMN2TDP1ALDH1A1
SCHEMBL31389249 0.81 ALOX15 (0.47) MAPTTP53SMN1; SMN2TDP1ALDH1A1
SCHEMBL17769171 0.81 LMNA (0.50) NOTUMLMNAHPGDMAPTTP53
SCHEMBL31389289 0.81 MAPT (0.58) LMNAMAPTTP53TDP1SMPD1
SCHEMBL20877162 0.80 TP53 (0.47) NOTUMLMNAHPGDMAPTTP53
SCHEMBL9452249 0.80 NOTUM (0.51) NOTUMLMNAHPGDMAPTTDP1
SCHEMBL6079964 0.78 SMN1; SMN2 (0.44) NOTUMLMNAMAPTSMN1; SMN2MEN1
SCHEMBL6080412 0.78 LMNA (0.47) NOTUMLMNAHPGDSMN1; SMN2SMPD1

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
WO-2019070742-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 (ASK 1) INHIBITOR COMPOUNDS SIDECAR THERAPEUTICS, INC. (US) 2019-04-11 — — WO disclosed
WO-2019070742-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 (ASK 1) INHIBITOR COMPOUNDS SIDECAR THERAPEUTICS, INC. (US) 2019-04-11 — — WO disclosed
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