SCHEMBL8960943

SCHEMBL8960943

CC(=O)NCCc1ccccc1SCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 11/20 0.52
MTNR1B P49286 10/20 0.52
KMT2A Q03164 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
PKM P14618 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
BLM P54132 1/20 0.46
KDM4E B2RXH2 2/20 0.44
NQO2 P16083 1/20 0.44
F13A1 P00488 1/20 0.44

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
SCHEMBL5339077 0.78 MTNR1A (0.71) MTNR1AMTNR1BNQO2
SCHEMBL7858 0.77 KDM4E (0.69) MTNR1AMTNR1BKMT2AMEN1LMNA
SCHEMBL8851523 0.76 MTNR1A (0.63) MTNR1AMTNR1BKMT2AMEN1LMNA
SCHEMBL5987986 0.76 MTNR1A (0.63) MTNR1AMTNR1BKMT2AL3MBTL1MEN1
Hydrochloric Acid SCHEMBL31736052 0.76 KDM4E (0.67) KMT2AL3MBTL1MEN1LMNATSHR
SCHEMBL3887461 0.74 POLB (0.55) KMT2AL3MBTL1MEN1LMNATSHR
SCHEMBL8229644 0.74 MTNR1A (0.65) MTNR1AMTNR1BKMT2AMEN1LMNA
SCHEMBL422827 0.74 L3MBTL1 (0.68) MTNR1AMTNR1BKMT2AL3MBTL1CYP2C19
SCHEMBL5988458 0.74 MTNR1A (0.65) MTNR1AMTNR1BKMT2AMEN1LMNA
SCHEMBL6638095 0.73 POLB (0.59) KMT2AL3MBTL1MEN1LMNACYP1A2

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-0593615-B1 AROMATIC COMPOUNDS, COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY MERCK SHARP & DOHME (GB) 1996-01-31 EP disclosed