SCHEMBL7275174

SCHEMBL7275174

CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.72
▸ ATM Q13315 2/20 0.72
▸ MEN1 O00255 2/20 0.70
▸ CTSS P25774 2/20 0.52
▸ CTSL P07711 1/20 0.52
▸ CTSB P07858 1/20 0.52
▸ CTSK P43235 1/20 0.52
▸ MAPK1 P28482 1/20 0.51
▸ KLKB1 P03952 2/20 0.51
▸ PLG P00747 1/20 0.51
▸ PLAU P00749 1/20 0.51
▸ PRSS1 P07477 1/20 0.49
▸ PRSS2 P07478 1/20 0.49
▸ PRSS3 P35030 1/20 0.49
▸ PSMB5 P28074 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL7275179 1.00 KMT2A (0.72) KMT2AATMMEN1CTSSCTSL
Dimethylamine SCHEMBL10425391 0.91 KMT2A (0.79) KMT2AATMMEN1CTSSCTSL
SCHEMBL388983 0.91 KMT2A (0.82) KMT2AATMMEN1CTSSCTSL
SCHEMBL388984 0.91 KMT2A (0.82) KMT2AATMMEN1CTSSCTSL
SCHEMBL28057007 0.91 KMT2A (0.82) KMT2AATMMEN1CTSSCTSL
SCHEMBL16604417 0.83 KMT2A (0.70) KMT2AATMMEN1MAPK1PLG
SCHEMBL25964562 0.83 KMT2A (0.70) KMT2AATMMEN1MAPK1PLG
Aminobenzoic Acid SCHEMBL7274588 0.83 KMT2A (0.70) KMT2AATMMEN1MAPK1KLKB1
SCHEMBL16604445 0.82 KMT2A (0.69) KMT2AATMMEN1CTSSCTSK
SCHEMBL17982949 0.82 KMT2A (0.69) KMT2AATMMEN1MAPK1PLG

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
EP-0317959-A2 Anti-ulcer composition Okamoto, Shosuke (JP) 1989-05-31 — — EP disclosed
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