SCHEMBL21657990

SCHEMBL21657990

CCCC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)Nc1ccc(CC)cc1)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.45
▸ MEN1 O00255 4/20 0.45
▸ TP53 P04637 3/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ ATM Q13315 3/20 0.44
▸ HTT P42858 1/20 0.44
▸ CRHBP P24387 1/20 0.43
▸ CRHR2 Q13324 1/20 0.43
▸ HDAC3 O15379 3/20 0.43
▸ HDAC4 P56524 3/20 0.43
▸ HDAC1 Q13547 3/20 0.43
▸ HDAC7 Q8WUI4 3/20 0.43
▸ HDAC2 Q92769 3/20 0.43
▸ HDAC10 Q969S8 3/20 0.43
▸ HDAC11 Q96DB2 3/20 0.43
▸ HDAC8 Q9BY41 3/20 0.43
▸ HDAC6 Q9UBN7 3/20 0.43
▸ HDAC9 Q9UKV0 3/20 0.43
▸ HDAC5 Q9UQL6 3/20 0.43
▸ GAA P10253 1/20 0.43

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
SCHEMBL22746497 0.90 GAA (0.46) TP53SMN1; SMN2HTTCRHBPCRHR2
SCHEMBL21649720 0.90 GAA (0.46) TP53SMN1; SMN2HTTCRHBPCRHR2
SCHEMBL23943397 0.88 MEN1 (0.40) KMT2AMEN1TP53SMN1; SMN2HTT
SCHEMBL23943398 0.88 MEN1 (0.40) KMT2AMEN1TP53SMN1; SMN2HTT
SCHEMBL24496722 0.88 KMT2A (0.46) KMT2AMEN1TP53SMN1; SMN2ATM
SCHEMBL27123687 0.87 HDAC3 (0.47) KMT2AMEN1TP53SMN1; SMN2ATM
SCHEMBL26445311 0.87 HDAC1 (0.45) TP53HTTHDAC3HDAC4HDAC1
SCHEMBL25774296 0.86 MEN1 (0.43) KMT2AMEN1TP53SMN1; SMN2HTT
SCHEMBL22064637 0.86 SMN1; SMN2 (0.47) KMT2AMEN1TP53SMN1; SMN2ATM
SCHEMBL21650353 0.84 KMT2A (0.42) KMT2AMEN1TP53SMN1; SMN2ATM

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020216947-A1 AMATOXIN ANTIBODY-DRUG CONJUGATES AND USES THEREOF HEIDELBERG PHARMA RESEARCH GMBH (DE) 2020-10-29 — — WO disclosed
WO-2020219748-A2 ANTI-CD117 ANTIBODIES AND USES THEREOF Magenta Therapeutics, Inc. (US) 2020-10-29 — — WO disclosed
WO-2020219770-A1 ANTI-CD117 ANTIBODIES AND USES THEREOF Magenta Therapeutics, Inc. (US) 2020-10-29 — — WO disclosed
WO-2020023561-A1 USE OF ANTI-CD5 ANTIBODY DRUG CONJUGATE (ADC) IN ALLOGENEIC CELL THERAPY Magenta Therapeutics, Inc. (US) 2020-01-30 — — WO disclosed
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