SCHEMBL9235992

SCHEMBL9235992

COC(=O)c1cccc(CCCc2cccs2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.63
CYP4A11 Q02928 3/20 0.63
LOXL2 Q9Y4K0 1/20 0.54
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
BLM P54132 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
DNMT1 P26358 1/20 0.49
SLC7A5 Q01650 1/20 0.47
NPC1 O15118 1/20 0.46
PKM P14618 1/20 0.46
TRPV1 Q8NER1 1/20 0.45
FOLH1 Q04609 1/20 0.44
BRD4 O60885 1/20 0.44
ALDH1A1 P00352 3/20 0.44
MRGPRX4 Q96LA9 2/20 0.44
HPGD P15428 1/20 0.44
DHODH Q02127 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL8924338 0.85 CYP4A11 (0.59) CYP4F2CYP4A11LOXL2MEN1KMT2A
SCHEMBL29130655 0.85 LOXL2 (0.57) CYP4F2CYP4A11LOXL2MEN1KMT2A
SCHEMBL70173 0.80 CYP4F2 (0.83) CYP4F2CYP4A11LOXL2MEN1KMT2A
SCHEMBL6121831 0.79 MEN1 (0.53) MEN1KMT2ABLMCTDSP1L3MBTL1
SCHEMBL5663990 0.79 CYP4A11 (0.91) CYP4F2CYP4A11LOXL2SLC7A5FOLH1
SCHEMBL1792728 0.79 CYP4A11 (0.75) CYP4F2CYP4A11LOXL2SLC7A5FOLH1
SCHEMBL10606812 0.79 CYP4A11 (0.75) CYP4F2CYP4A11LOXL2MEN1KMT2A
SCHEMBL28231008 0.78 CYP4F2 (0.69) CYP4F2CYP4A11LOXL2MEN1KMT2A
SCHEMBL31752875 0.78 CYP4A11 (0.69) CYP4F2CYP4A11LOXL2MEN1KMT2A
SCHEMBL18540811 0.77 CYP4A11 (1.00) CYP4F2CYP4A11LOXL2SLC7A5FOLH1

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-0685466-A1 3-Heteroaliphatyle-and 3-hetero-(aryle)-aliphatyle-2(1H)-quinolone derivatives CIBA-GEIGY AG (CH) 1995-12-06 EP disclosed