SCHEMBL3129804

SCHEMBL3129804

C[N+](C)(C(N)=O)c1cc(CCC(N)=O)cc(S(C)(=O)=O)n1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
CAPN1 P07384 1/20 0.34
PRMT1 Q99873 1/20 0.30
GLP1R P43220 1/20 0.30

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
SCHEMBL3251375 0.86 HTT (0.34)
SCHEMBL3126792 0.76 MAP4K4 (0.33)
SCHEMBL567866 0.75
SCHEMBL3245961 0.74 ALDH1A1 (0.37) ALDH1A1LMNACAPN1PRMT1GLP1R
SCHEMBL3245954 0.74 ALDH1A1 (0.35) ALDH1A1LMNACAPN1PRMT1GLP1R
SCHEMBL3129819 0.73 ALDH1A1 (0.34) ALDH1A1LMNACAPN1
SCHEMBL3126594 0.71 ALDH1A1 (0.41) ALDH1A1LMNACAPN1PRMT1
SCHEMBL3121506 0.66 ALDH1A1 (0.46) ALDH1A1LMNACAPN1PRMT1
SCHEMBL3123547 0.65 ALDH1A1 (0.38) ALDH1A1LMNACAPN1PRMT1
SCHEMBL9954937 0.64 NR3C2 (0.38) ALDH1A1LMNA

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-2010036632-A1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO disclosed