SCHEMBL11727641

SCHEMBL11727641

CN(C)CCC(=O)c1ccc2c(c1)Cc1cc(C(=O)CCN(C)C)ccc1S2

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GSR P00390 2/20 0.48
▸ THRA P10827 12/20 0.43
▸ THRB P10828 10/20 0.43
▸ TP53 P04637 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ THPO P40225 1/20 0.43
▸ MTOR P42345 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ EGFR P00533 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ GMNN O75496 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ RAD52 P43351 1/20 0.42
▸ PMP22 Q01453 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL11862026 0.90 CYP1A2 (0.46) GSRTHRATHRBTP53CYP1A2
Hydrochloric Acid SCHEMBL11862809 0.89 MEN1 (0.46) GSRTHRATHRBTP53CYP1A2
SCHEMBL11869377 0.86 KDM4E (0.45) GSRTHRATHRBTP53CYP1A2
SCHEMBL11732533 0.85 THRA (0.38) THRATHRBTP53CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL11734361 0.83 MAOA (0.37) GSRTHRATHRBTP53CYP1A2
SCHEMBL11872995 0.82 THRA (0.53) THRATHRBCYP1A2CYP2D6
SCHEMBL11730448 0.80 L3MBTL1 (0.43) THRATHRBTP53CYP1A2CYP2D6
SCHEMBL11730430 0.80 CTNNB1 (0.36) TSHRMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL11862770 0.79 L3MBTL1 (0.44) THRATHRBTP53CYP1A2CYP2D6
SCHEMBL11866455 0.79 L3MBTL1 (0.39) THRATHRBTP53CYP1A2CYP2D6

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-4008240-A VIRICIDE RICHARDSON-MERRELL INC. (US) 1977-02-15 — — US disclosed
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