SCHEMBL13445218

SCHEMBL13445218

COC(=O)C(CN)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.57
▸ CASP3 P42574 2/20 0.51
▸ MDM4 O15151 2/20 0.51
▸ TP53 P04637 2/20 0.51
▸ EPHX2 P34913 1/20 0.48
▸ TLR2 O60603 2/20 0.48
▸ MDM2 Q00987 1/20 0.47

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
SCHEMBL30404089 1.00 KMT2A (0.57) KMT2ACASP3MDM4TP53EPHX2
SCHEMBL19426629 1.00 KMT2A (0.57) KMT2ACASP3MDM4TP53EPHX2
SCHEMBL30402460 1.00 KMT2A (0.57) KMT2ACASP3MDM4TP53EPHX2
Hydrochloric Acid SCHEMBL30396303 0.99 KMT2A (0.56) KMT2ACASP3MDM4TP53EPHX2
SCHEMBL17282987 0.90 KMT2A (0.55) KMT2ACASP3MDM4TP53EPHX2
SCHEMBL15199950 0.90 KMT2A (0.55) KMT2ACASP3MDM4TP53EPHX2
SCHEMBL26478312 0.90 KMT2A (0.55) KMT2ACASP3MDM4TP53EPHX2
Hydrochloric Acid SCHEMBL30001047 0.89 KMT2A (0.54) KMT2ACASP3MDM4TP53EPHX2
SCHEMBL21474105 0.89 KMT2A (0.56) KMT2ACASP3MDM4TP53EPHX2
SCHEMBL21504338 0.89 KMT2A (0.56) KMT2ACASP3MDM4TP53EPHX2

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
CN-115916784-A Novel imidazopyrazine derivatives 豪夫迈·罗氏有限公司 2023-04-04 — — CN disclosed
WO-2010028190-A2 COMPOUNDS, COMPOSITIONS AND METHODS OF USING SAME FOR MODULATING URIC ACID LEVELS ARDEA BIOSCIENCES, INC. (US) 2010-03-11 — — WO disclosed
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