SCHEMBL1979074

SCHEMBL1979074

Clc1c[c]c(OCc2ccccc2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.43
SLC6A4 P31645 1/20 0.41
PIN1 Q13526 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
PTGS1 P23219 1/20 0.37
SLC6A2 P23975 1/20 0.37
CYP2C19 P33261 1/20 0.37
PTGS2 P35354 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HIF1A Q16665 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
P4HTM Q9NXG6 1/20 0.36
TSHR P16473 1/20 0.36
GCK P35557 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL21408281 0.80 CXCR2 (0.38) MEN1KMT2ALMNACYP1A2PTGS1
SCHEMBL17593323 0.78 MAOB (0.49) MEN1KMT2ALMNACYP1A2PTGS1
SCHEMBL511881 0.72 BCHE (0.40) SLC6A4MEN1KMT2ALMNACYP1A2
SCHEMBL8782204 0.71 ALOX5 (0.40) PLAUSLC6A4LMNACYP1A2PTGS1
SCHEMBL1202097 0.70 LTA4H (0.46) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL4288596 0.70 PLAU (0.46) PLAUSLC6A4PIN1MEN1KMT2A
SCHEMBL9481827 0.67 ALOX5 (0.42) PLAUMEN1KMT2ALMNACYP1A2
SCHEMBL7972246 0.66 CYP1A2 (0.38) MEN1KMT2ALMNACYP1A2TSHR
SCHEMBL457443 0.66 P4HTM (0.53) PIN1LMNACYP1A2PTGS1SLC6A2
SCHEMBL9479747 0.66 MAPT (0.42) PLAULMNACYP1A2PTGS1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011072064-A1 S PIRO [CHROMAN - 4, 4 ' - IMIDAZOL] ONES AS BETA - SECRETASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-06-16 WO claimed
WO-2011072064-A1 S PIRO [CHROMAN - 4, 4 ' - IMIDAZOL] ONES AS BETA - SECRETASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-06-16 WO disclosed