SCHEMBL7861381

SCHEMBL7861381

N#Cc1c(F)cccc1CS

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
TRPV4 Q9HBA0 1/20 0.38
MEN1 O00255 1/20 0.37
CXCR2 P25025 3/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
HRH1 P35367 1/20 0.35
IDO1 P14902 1/20 0.34
HSD11B1 P28845 2/20 0.34
LRRK2 Q5S007 1/20 0.34
ACHE P22303 1/20 0.33

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
SCHEMBL24872545 0.83 KDM4E (0.42) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL16953179 0.80 S1PR1 (0.42) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL20838005 0.80 KDM4E (0.44) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL16949914 0.80 KDM4E (0.40) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL12648426 0.80 ALDH1A1 (0.44) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL10891656 0.80 KDM4E (0.40) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL16680739 0.80 ALDH1A1 (0.40) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL186269 0.78 ALDH1A1 (0.50) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL13780122 0.77 ALDH1A1 (0.39) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL1154535 0.76 HTR2A (0.43) KDM4EALDH1A1HPGDHSD17B10L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1097139-A1 QUINOLINE DERIVATIVES Active Biotech AB (SE) 2001-05-09 EP disclosed
US-6121287-A Quinoline derivatives ACTIVE BIOTECH AB (SE) 2000-09-19 US disclosed
WO-2000003992-A1 QUINOLINE DERIVATIVES ACTIVE BIOTECH AB (SE) 2000-01-27 WO disclosed