SCHEMBL6367804

SCHEMBL6367804

COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)NC(CCCNC(N)=O)C(=O)O)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.56
LMNA P02545 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
USP2 O75604 1/20 0.55
GAA P10253 1/20 0.55
MAPT P10636 4/20 0.48
MMP8 P22894 12/20 0.46
MMP3 P08254 6/20 0.46

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
SCHEMBL6369048 0.94 TP53 (0.55) TP53LMNASMN1; SMN2USP2GAA
SCHEMBL6368940 0.90 TP53 (0.59) TP53LMNASMN1; SMN2USP2GAA
SCHEMBL6375292 0.90 TP53 (0.59) TP53LMNASMN1; SMN2USP2GAA
SCHEMBL6368442 0.89 TP53 (0.59) TP53LMNASMN1; SMN2USP2GAA
SCHEMBL6373299 0.88 TP53 (0.60) TP53LMNASMN1; SMN2USP2GAA
SCHEMBL6368197 0.88 TP53 (0.64) TP53LMNASMN1; SMN2USP2GAA
SCHEMBL6368668 0.87 TP53 (0.59) TP53LMNASMN1; SMN2USP2GAA
SCHEMBL6368880 0.87 TP53 (0.61) TP53LMNASMN1; SMN2USP2GAA
SCHEMBL6375672 0.86 TP53 (0.59) TP53LMNASMN1; SMN2USP2GAA
SCHEMBL6368875 0.85 TP53 (0.61) TP53LMNASMN1; SMN2USP2GAA

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
US-6903075-B1 Heterocyclic amide compounds as cell adhesion inhibitors MERCK & CO., INC. (US) 2005-06-07 US claimed