SCHEMBL30047290

SCHEMBL30047290

O=C1C(=O)N(C2CCCC2)CCN1Cc1ccc(N2CCCC2)nn1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IL4I1 Q96RQ9 7/20 0.58
TP53 P04637 4/20 0.41
LMNA P02545 3/20 0.39
CYP1A2 P05177 1/20 0.38
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL30948007 0.99 IL4I1 (0.57) IL4I1TP53LMNACYP1A2RXFP1
SCHEMBL30948107 0.98 IL4I1 (0.58) IL4I1TP53LMNACYP1A2RXFP1
SCHEMBL30948243 0.91 IL4I1 (0.54) IL4I1TP53LMNA
SCHEMBL30948355 0.89 IL4I1 (0.54) IL4I1TP53LMNARXFP1
SCHEMBL30948046 0.88 IL4I1 (0.58) IL4I1TP53LMNARXFP1
SCHEMBL30948242 0.85 IL4I1 (0.53) IL4I1TP53LMNARXFP1
SCHEMBL30047175 0.82 IL4I1 (0.60) IL4I1TP53LMNARXFP1
SCHEMBL30947906 0.80 TP53 (0.48) IL4I1TP53LMNARXFP1
SCHEMBL30046889 0.79 IL4I1 (0.77) IL4I1TP53LMNARXFP1
SCHEMBL30045945 0.78 IL4I1 (0.55) IL4I1TP53LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4329889-A1 IL4I1 INHIBITORS AND METHODS OF USE Merck Sharp & Dohme LLC (US) 2024-03-06 EP disclosed
WO-2022227015-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME CORP. (US) 2022-11-03 WO disclosed
WO-2022232333-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2022-11-03 WO disclosed