SCHEMBL9640296

SCHEMBL9640296

O=C(Nc1ccc(F)cc1F)NC1(c2cccs2)CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.56
GAA P10253 3/20 0.56
TP53 P04637 2/20 0.56
NPC1 O15118 3/20 0.50
POLB P06746 1/20 0.50
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
THRB P10828 1/20 0.44
LMNA P02545 2/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
CTSD P07339 1/20 0.42

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 0.74 LMNA (0.52) RAB9AGAAPOLBMAPTKDM4E
SCHEMBL11968766 0.72 GAA (1.00) RAB9AGAATP53NPC1ALDH1A1
SCHEMBL9641234 0.72 HDAC3 (0.42) GAATP53POLBALDH1A1KDM4E
SCHEMBL9640387 0.72 HDAC3 (0.51) RAB9ANPC1POLBALDH1A1MEN1
SCHEMBL27193044 0.69 RAB9A (0.77) RAB9AGAATP53NPC1POLB
SCHEMBL9640366 0.68 LMNA (0.43) RAB9AMAPTMEN1KMT2AHTT
SCHEMBL9641583 0.68 LMNA (0.43) RAB9AGAAPOLBALDH1A1MAPT
SCHEMBL9640990 0.68 RAB9A (0.53) RAB9AGAATP53NPC1POLB
SCHEMBL27264917 0.67 RAB9A (1.00) RAB9AGAANPC1POLBALDH1A1
SCHEMBL27267057 0.67 RAB9A (1.00) RAB9AGAANPC1POLBALDH1A1

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-B1 ANTIHYPERLIPIDEMIC AND ANTIATHEROSCLEROTIC UREA COMPOUNDS WARNER-LAMBERT COMPANY (US) 1992-08-26 EP disclosed
US-5015644-A Antihyperlipidemic and antiatherosclerotic urea and carbamate compounds WARNER-LAMBERT COMPANY (US) 1991-05-14 US disclosed
EP-0293880-A1 Antihyperlipidemic and antiatherosclerotic urea compounds WARNER-LAMBERT COMPANY (US) 1988-12-07 EP disclosed