SCHEMBL31004002

SCHEMBL31004002

[N-]=[N+]=CC(=O)CC[C@H](NC(=O)[C@@H](N)CCCCNC(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(N)=O

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 9/20 0.61
▸ TDP1 Q9NUW8 1/20 0.56
▸ PRSS1 P07477 3/20 0.52
▸ PRSS2 P07478 3/20 0.52
▸ PRSS3 P35030 3/20 0.52
▸ TPSAB1 Q15661 3/20 0.52
▸ PLG P00747 2/20 0.52
▸ F2 P00734 2/20 0.48
▸ HSP90AB1 P08238 1/20 0.48
▸ CAPN1 P07384 2/20 0.47
▸ PKM P14618 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.45
▸ EGLN1 Q9GZT9 1/20 0.45
▸ KDM2A Q9Y2K7 1/20 0.45

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
SCHEMBL31004014 0.94 TDP1 (0.63) FOLH1TDP1PRSS1PRSS2PRSS3
SCHEMBL31004030 0.91 FOLH1 (0.57) FOLH1TDP1PRSS1PRSS2PRSS3
SCHEMBL31004025 0.85 FOLH1 (0.54) FOLH1TDP1PRSS1PRSS2PRSS3
SCHEMBL31003997 0.85 TDP1 (0.58) FOLH1TDP1CAPN1
SCHEMBL29439904 0.84 TDP1 (0.75) FOLH1TDP1CAPN1PKM
SCHEMBL31003985 0.84 FOLH1 (0.48) FOLH1TDP1PRSS1PRSS2PRSS3
SCHEMBL24858374 0.83 TDP1 (0.73) FOLH1TDP1PRSS1PRSS2PRSS3
SCHEMBL29439931 0.83 TDP1 (0.73) FOLH1TDP1PRSS1PRSS2PRSS3
SCHEMBL29340332 0.83 FOLH1 (0.59) FOLH1TDP1PRSS1PRSS2PRSS3
SCHEMBL31003984 0.82 FOLH1 (0.51) FOLH1TDP1PRSS1PRSS2PRSS3

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
WO-2024151843-A1 TARGETED UNIVERSAL DELIVERY SYSTEM OF DON AND OTHER DRUGS THE JOHNS HOPKINS UNIVERSITY (US) 2024-07-18 — — WO disclosed
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