SCHEMBL8378435

SCHEMBL8378435

O=C(NCCN1CCOCC1)c1ccccc1SSc1ccccc1C(=O)NCCN1CCOCC1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.65
▸ MEN1 O00255 1/20 0.65
▸ BCL3 P20749 3/20 0.61
▸ HPGD P15428 1/20 0.60
▸ CD274 Q9NZQ7 1/20 0.60
▸ ALDH1A1 P00352 1/20 0.58
▸ PSMD14 O00487 1/20 0.58
▸ STAMBP O95630 1/20 0.58
▸ CYP1A2 P05177 1/20 0.57
▸ CYP2D6 P10635 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ KDM5B Q9UGL1 1/20 0.57

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
SCHEMBL31298077 0.84 KMT2A (0.67) KMT2AMEN1BCL3HPGDCD274
SCHEMBL21347706 0.83 KMT2A (0.66) KMT2AMEN1BCL3HPGDCD274
SCHEMBL8167729 0.83 KMT2A (0.66) KMT2AMEN1BCL3HPGDCD274
SCHEMBL13164059 0.83 MEN1 (0.66) KMT2AMEN1BCL3HPGDCD274
SCHEMBL7527740 0.83 KMT2A (0.66) KMT2AMEN1BCL3HPGDCD274
SCHEMBL8161181 0.83 BCL3 (0.84) KMT2AMEN1BCL3HPGDCD274
SCHEMBL10352662 0.82 KMT2A (0.65) KMT2AMEN1BCL3HPGDCD274
SCHEMBL5795351 0.81 KMT2A (0.63) KMT2AMEN1BCL3HPGDALDH1A1
SCHEMBL31518356 0.81 KMT2A (0.63) KMT2AMEN1BCL3HPGDALDH1A1
SCHEMBL24062684 0.80 KMT2A (0.62) KMT2AMEN1BCL3HPGDCD274

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5929114-A ADMINISTERING ANTIVIRAL COMPOUND WHICH EXTRUDES ZINC FROM NUCLEOCAPSID PROTEIN OF HUMAN IMMUNODEFICIENCY VIRUS WARNER-LAMBERT COMPANY (US) 1999-07-27 — — US disclosed
US-5734081-A Arylthio compounds WARNER-LAMBERT COMPANY (US) 1998-03-31 — — US disclosed
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