SCHEMBL8389972

SCHEMBL8389972

CCN(C(=O)C(CN=S(=O)=O)c1ccc(C)cc1)C(=S)NC

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ CNR1 P21554 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ ABCC1 P33527 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ POLB P06746 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 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
SCHEMBL8334765 0.89 HPGD (0.37) ALDH1A1MEN1KMT2ACNR2POLB
SCHEMBL8333490 0.87 — —
SCHEMBL8334475 0.86 CNR1 (0.33) ALDH1A1MEN1KMT2ACNR1CNR2
SCHEMBL8341066 0.77 — —
SCHEMBL8336011 0.77 LMNA (0.33) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL8338167 0.77 HPGD (0.39) CNR1CNR2POLBLMNA
SCHEMBL8335851 0.74 CNR2 (0.38) ALDH1A1MEN1KMT2ACNR2CYP1A2
SCHEMBL8339611 0.73 — —
SCHEMBL8334832 0.73 CNR2 (0.37) ALDH1A1MEN1KMT2ACNR2POLB
SCHEMBL8389974 0.70 BCHE (0.31) MEN1KMT2ALMNA

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-5880155-A TREATMENT OF CARDIOVASCULAR DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 1999-03-09 — — US disclosed
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