SCHEMBL29959615

SCHEMBL29959615

CCN(CC)CC.CCN1C(=C2SC(=S)N(CC(=O)O)C2=O)Sc2ccccc21

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 12/20 0.71
▸ KMT2A Q03164 12/20 0.71
▸ SMN1; SMN2 Q16637 2/20 0.67
▸ LMNA P02545 2/20 0.66
▸ HPGD P15428 2/20 0.66
▸ ALOX15 P16050 2/20 0.66
▸ ALOX12 P18054 2/20 0.66
▸ CASP1 P29466 2/20 0.66
▸ HSD17B10 Q99714 2/20 0.66
▸ CASP7 P55210 1/20 0.66
▸ POLB P06746 6/20 0.62
▸ MAPT P10636 5/20 0.57
▸ MMP13 P45452 2/20 0.57
▸ CTDSP1 Q9GZU7 1/20 0.55
▸ RXFP1 Q9HBX9 1/20 0.55
▸ APEX1 P27695 2/20 0.53
▸ PTGES O14684 1/20 0.53
▸ ALDH1A1 P00352 4/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ GAA P10253 1/20 0.53

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
SCHEMBL9191085 0.95 MEN1 (0.80) MEN1KMT2ASMN1; SMN2LMNAHPGD
SCHEMBL9191082 0.95 MEN1 (0.80) MEN1KMT2ASMN1; SMN2LMNAHPGD
SCHEMBL9651470 0.90 MEN1 (0.58) MEN1KMT2ASMN1; SMN2LMNAHPGD
SCHEMBL9651467 0.90 MEN1 (0.58) MEN1KMT2ASMN1; SMN2LMNAHPGD
SCHEMBL7019338 0.84 MEN1 (1.00) MEN1KMT2ASMN1; SMN2LMNAHPGD
SCHEMBL8887899 0.84 MEN1 (1.00) MEN1KMT2ASMN1; SMN2LMNAHPGD
SCHEMBL10036060 0.84 MEN1 (1.00) MEN1KMT2ASMN1; SMN2LMNAHPGD
SCHEMBL10661708 0.84 MEN1 (0.76) MEN1KMT2ASMN1; SMN2LMNAHPGD
SCHEMBL14620886 0.83 MEN1 (0.74) MEN1KMT2ASMN1; SMN2LMNAHPGD
SCHEMBL8606927 0.82 MEN1 (0.61) MEN1KMT2ASMN1; SMN2LMNAHPGD

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
EP-3485076-B1 CLEANING AGENT IDENTIFICATION HENKEL AG & CO KGAA (DE) 2022-11-02 — — EP disclosed
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