SCHEMBL9640387

SCHEMBL9640387

NC(=O)NC1(c2cccs2)CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC2 Q92769 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.45
SLC6A4 P31645 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PRCP P42785 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
CTSD P07339 1/20 0.41
BACE1 P56817 1/20 0.41
TSHR P16473 2/20 0.40
LMNA P02545 1/20 0.40
CHRM3 P20309 1/20 0.39
POLB P06746 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
RAB9A P51151 2/20 0.38

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
SCHEMBL9641290 0.76 LMNA (0.52) HDAC3HDAC1HDAC2HDAC6SLC6A4
SCHEMBL24946122 0.75 SLC6A4 (0.57) HDAC3HDAC1HDAC2HDAC6SLC6A2
SCHEMBL7695144 0.75 HDAC3 (0.48) HDAC3HDAC1HDAC2HDAC6SLC6A2
SCHEMBL9641234 0.74 HDAC3 (0.42) HDAC3HDAC1HDAC2HDAC6SLC6A2
SCHEMBL28849376 0.73 SSTR4 (0.56) HDAC3HDAC1HDAC2HDAC6
Hydrochloric Acid SCHEMBL6203736 0.73 SLC6A4 (0.55) HDAC3HDAC1HDAC2HDAC6SLC6A2
SCHEMBL21916840 0.72 SLC6A4 (0.58) HDAC3HDAC1HDAC2HDAC6SLC6A2
SCHEMBL9640296 0.72 RAB9A (0.56) MEN1KMT2ACTSDBACE1LMNA
SCHEMBL28826580 0.72 HDAC3 (0.45) HDAC3HDAC1HDAC2HDAC6SLC6A4
SCHEMBL9640292 0.71 SSTR4 (0.54) HDAC3HDAC1HDAC2HDAC6POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0293880-B1 ANTIHYPERLIPIDEMIC AND ANTIATHEROSCLEROTIC UREA COMPOUNDS WARNER-LAMBERT COMPANY (US) 1992-08-26 EP claimed
EP-0293880-A1 Antihyperlipidemic and antiatherosclerotic urea compounds WARNER-LAMBERT COMPANY (US) 1988-12-07 EP claimed
EP-0293880-B1 ANTIHYPERLIPIDEMIC AND ANTIATHEROSCLEROTIC UREA COMPOUNDS WARNER-LAMBERT COMPANY (US) 1992-08-26 EP disclosed
EP-0293880-A1 Antihyperlipidemic and antiatherosclerotic urea compounds WARNER-LAMBERT COMPANY (US) 1988-12-07 EP disclosed