SCHEMBL8095440

SCHEMBL8095440

Cc1cc(C(=O)c2cccc(N=C=S)c2)cc(C)c1O.O=C(O)CNCC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.37
HSD17B10 Q99714 1/20 0.35
KMT2A Q03164 5/20 0.34
MEN1 O00255 4/20 0.34
ALDH1A1 P00352 4/20 0.34
NPC1 O15118 3/20 0.34
MAPT P10636 3/20 0.34
POLB P06746 2/20 0.34
GAA P10253 2/20 0.34
RAB9A P51151 2/20 0.34
PLCG1 P19174 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TTR P02766 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
P2RY6 Q15077 1/20 0.34
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL4444843 0.80 GABRA1 (0.47) THRBKMT2AMEN1ALDH1A1NPC1
SCHEMBL13123474 0.76 ATM (0.57) HSD17B10KMT2AMEN1ALDH1A1NPC1
SCHEMBL4623107 0.74 HSD17B10 (0.36) THRBHSD17B10KMT2AMEN1ALDH1A1
SCHEMBL9307968 0.73 HSD17B10 (0.35) THRBHSD17B10KMT2AMEN1ALDH1A1
SCHEMBL9185380 0.72 ADORA2B (0.39) HSD17B10KMT2AMEN1ALDH1A1MAPT
SCHEMBL11151289 0.71 ATM (0.56) KMT2AMEN1ALDH1A1NPC1POLB
SCHEMBL687302 0.70 MIF (0.52) THRBHSD17B10KMT2AMEN1ALDH1A1
SCHEMBL2831122 0.68 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1NPC1MAPT
SCHEMBL9618894 0.68 GABRA1 (0.59) KMT2AMEN1ALDH1A1NPC1MAPT
SCHEMBL1421363 0.68 ALDH1A1 (0.48) ALDH1A1NPC1MAPTPOLBRAB9A

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
US-6136268-A Method for luminescence measurements ORION DIAGNOSTICA (FI) 2000-10-24 US disclosed
US-5308754-A Terbium compounds KANKARE JOUKO J 1994-05-03 US disclosed