SCHEMBL5043750

SCHEMBL5043750

O=CCc1ccc(-c2cccc(Cl)c2)o1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.59
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 7/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
HTT P42858 3/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 6/20 0.47
GAA P10253 2/20 0.47
THRB P10828 1/20 0.47
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
PKM P14618 2/20 0.46
SLC9A1 P19634 1/20 0.46
POLB P06746 3/20 0.45
HTR6 P50406 1/20 0.45
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
HPGD P15428 4/20 0.45

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
SCHEMBL13680865 0.84 SOS1 (0.56) SOS1MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL9867707 0.81 ALDH1A1 (0.57) MEN1KMT2AL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL15106998 0.81 SLC9A1 (0.46) SOS1L3MBTL1ALDH1A1SMN1; SMN2HTT
SCHEMBL282163 0.80 SOS1 (0.66) SOS1MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL8131486 0.78 RPA1 (0.55) SOS1ALDH1A1HTTMAPTRAB9A
SCHEMBL624093 0.78 ALDH1A1 (0.65) SOS1MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL10000785 0.78 SOS1 (0.69) SOS1MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL15107433 0.77 KDM4E (0.53) MEN1KMT2AALDH1A1HTTGAA
SCHEMBL624327 0.77 ALDH1A1 (0.60) SOS1MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL27649028 0.76 SOS1 (0.57) SOS1MEN1KMT2AL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1587473-A4 THIOSEMICARBAZONES AS ANTI-VIRALS AND IMMUNOPOTENTIATORS NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-08-13 EP disclosed
EP-1618127-A2 THE SEVERE ACUTE RESPIRATORY SYNDROME CORONAVIRUS CHIRON CORPORATION (US) 2006-01-25 EP disclosed
EP-1608369-A2 USE OF ORGANIC COMPOUNDS FOR IMMUNOPOTENTIATION CHIRON CORPORATION (US) 2005-12-28 EP disclosed
EP-1587473-A2 THIOSEMICARBAZONES AS ANTI-VIRALS AND IMMUNOPOTENTIATORS CHIRON CORPORATION (US) 2005-10-26 EP disclosed
WO-2004092360-A2 THE SEVERE ACUTE RESPIRATORY SYNDROME CORONAVIRUS CHIRON CORPORATION (US) 2004-10-28 WO disclosed
WO-2004087153-A2 USE OF ORGANIC COMPOUNDS FOR IMMUNOPOTENTIATION CHIRON CORPORATION (US) 2004-10-14 WO disclosed
WO-2004060308-A2 THIOSEMICARBAZONES AS ANTI-VIRALS AND IMMUNOPOTENTIATORS CHIRON CORPORATION (US) 2004-07-22 WO disclosed