SCHEMBL28535504

SCHEMBL28535504

COC(=O)C(CCCCNC(=O)c1cn(-c2ccccc2)nn1)NC(=O)C[N+](C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.46
ACKR3 P25106 2/20 0.43
MIF P14174 2/20 0.43
DRD2 P14416 2/20 0.41
DRD4 P21917 2/20 0.41
DRD3 P35462 2/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
FAAH O00519 1/20 0.40
MGLL Q99685 1/20 0.40
FOLH1 Q04609 2/20 0.39
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
SIRT3 Q9NTG7 1/20 0.37

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
SCHEMBL23525601 1.00 RIPK1 (0.46) RIPK1ACKR3MIFDRD2DRD4
SCHEMBL28537603 0.89 RIPK1 (0.46) RIPK1ACKR3MIFDRD2DRD4
SCHEMBL23525611 0.89 RIPK1 (0.46) RIPK1ACKR3MIFDRD2DRD4
SCHEMBL17883296 0.76 RIPK1 (0.63) RIPK1ACKR3MIF
SCHEMBL23525596 0.76 TP53 (0.51)
SCHEMBL23525595 0.76 TP53 (0.51)
SCHEMBL21635351 0.74 RIPK1 (0.56) RIPK1ACKR3MIFDRD2DRD4
SCHEMBL28542983 0.74 RIPK1 (0.56) RIPK1ACKR3MIFDRD2DRD4
SCHEMBL17883261 0.74 RIPK1 (0.63) RIPK1ACKR3MIFDRD2DRD4
SCHEMBL21635357 0.72 MDM4 (0.55) RIPK1FOLH1

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-112492882-A Reagent for mass spectrometry 豪夫迈·罗氏有限公司 2021-03-12 CN disclosed