SCHEMBL27272242

SCHEMBL27272242

[N-]=[N+]=NCCCCC(NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)C(CC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)CNC(=O)CNC(=O)C(CC(=O)O)NC(=O)C(CC(=O)O)NC(=O)CCC(=O)N1Cc2ccccc2/C=C\c2ccccc21)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 19/20 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
SCHEMBL27272248 1.00 FOLH1 (0.43) FOLH1
SCHEMBL27273423 0.91 FOLH1 (0.41) FOLH1
SCHEMBL27273419 0.90 FOLH1 (0.43) FOLH1
SCHEMBL27274438 0.90 FOLH1 (0.43) FOLH1
SCHEMBL27270033 0.88 KEAP1 (0.46) —
SCHEMBL27272046 0.85 KEAP1 (0.41) —
SCHEMBL27271972 0.84 CTSB (0.47) —
SCHEMBL27270415 0.84 CCKBR (0.45) —
SCHEMBL29313808 0.80 OPRK1 (0.48) FOLH1
SCHEMBL29313329 0.80 OPRL1 (0.41) —

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-2024086826-A2 POLYPEPTIDYL LINKERS Quantum-Si Incorporated (US) 2024-04-25 — — WO disclosed
Send feedback