Sugi Predict

Sugi Predict / Compounds / SCHEMBL6940523

SCHEMBL6940523

SCHEMBL6940523

CCC[C@](C(=O)NN)(c1ccccc1)S(=O)(=O)/C=C(/c1ccc(C)cc1)[C@H](C/C=C/c1ccccc1)C(=O)NOC1CCCCO1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 1/20 0.31
▸ P2RX3 P56373 1/20 0.31

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
SCHEMBL6940123 0.85 CYP1B1 (0.33) —
SCHEMBL6946176 0.79 TGFBR1 (0.33) TGFBR1P2RX3
SCHEMBL6947105 0.78 P2RX3 (0.34) TGFBR1P2RX3
SCHEMBL6945267 0.77 TGFBR1 (0.32) TGFBR1
SCHEMBL6942205 0.76 TGFBR1 (0.32) TGFBR1
SCHEMBL6942423 0.76 TGFBR1 (0.33) TGFBR1P2RX3
SCHEMBL6945851 0.75 P2RX3 (0.32) TGFBR1P2RX3
SCHEMBL6945779 0.74 TGFBR1 (0.33) TGFBR1P2RX3
SCHEMBL6942383 0.74 TGFBR1 (0.32) TGFBR1P2RX3
SCHEMBL6948116 0.73 TGFBR1 (0.32) TGFBR1P2RX3

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-0993442-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-04-23 — — EP disclosed
EP-0993442-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-04-19 — — EP disclosed
WO-1999001428-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-01-14 — — WO disclosed