SCHEMBL7601577

SCHEMBL7601577

Cc1c(C)c(Nc2ccccc2)c2c(c1C)C(=O)c1ccccc1C2=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.50
MEN1 O00255 11/20 0.50
KMT2A Q03164 11/20 0.50
LMNA P02545 8/20 0.46
SMN1; SMN2 Q16637 7/20 0.46
MAPK1 P28482 7/20 0.46
L3MBTL1 Q9Y468 7/20 0.46
POLB P06746 5/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 4/20 0.46
MITF O75030 3/20 0.46
CDC25A P30304 2/20 0.46
CDC25B P30305 2/20 0.46
HTT P42858 8/20 0.45
NPC1 O15118 7/20 0.45
RAB9A P51151 5/20 0.45
GAA P10253 4/20 0.45
ATM Q13315 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
XBP1 P17861 1/20 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
SCHEMBL9620480 0.82 MAPT (0.58) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL9510889 0.80 MEN1 (0.55) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL13346022 0.76 P2RY12 (0.54) MAPTMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL9803179 0.76 MAPT (0.54) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL22814198 0.75 HSD17B10 (0.55) MAPTMEN1KMT2ALMNAMAPK1
SCHEMBL21816966 0.74 MAPT (0.54) MAPTMEN1KMT2ALMNASMN1; SMN2
Anthraquinone SCHEMBL28378374 0.71 MEN1 (0.63) MAPTMEN1KMT2ALMNASMN1; SMN2
Anthraquinone SCHEMBL28323700 0.71 MEN1 (0.63) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL6651237 0.71 MAPT (0.51) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL10733814 0.71 MAPT (0.68) MAPTMEN1KMT2ALMNASMN1; SMN2

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-20020007663-A1 Method of introducing an in situant into a vapor compression system, especially useful for leak detection, as well as an apparatus for leak detection and a composition useful for leak detection MAINSTREAM ENGINEERING CORPORATION 2002-01-24 US disclosed
US-6327897-B1 Method of introducing an in situant into a vapor compression system, especially useful for leak detection, as well as an apparatus for leak detection and a composition useful for leak detection MAINSTREAM ENGINEERING CORPORATION 2001-12-11 US disclosed