SCHEMBL7889393

SCHEMBL7889393

O=C(O)c1ccc(C(=O)Nc2sc3c(c2C(=O)NC(Cc2ccccc2)C2=COCO2)CCCC3)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.52
MEN1 O00255 7/20 0.52
RAB9A P51151 6/20 0.52
NPC1 O15118 4/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPT P10636 5/20 0.51
LMNA P02545 2/20 0.51
HPGD P15428 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
POLB P06746 1/20 0.51
ESR2 Q92731 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
TNF P01375 2/20 0.49
NOD1 Q9Y239 2/20 0.49
FLT3 P36888 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
ATM Q13315 1/20 0.49
THRB P10828 1/20 0.47
KIF11 P52732 1/20 0.47

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
SCHEMBL8207643 0.92 MGAM (0.51) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL8200088 0.85 FLT3 (0.44) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL8206432 0.84 TAAR1 (0.54) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL8208116 0.84 MAPT (0.50) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL8206343 0.83 MAPT (0.47) ALDH1A1MAPTHPGDSMN1; SMN2TDP1
SCHEMBL8199988 0.78 ALDH1A1 (0.37) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL8212479 0.78 MAPT (0.38) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL8207755 0.78 GRIN2C (0.48) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL8200038 0.77 NPC1 (0.37) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL7888385 0.77 MGAM (0.73) KMT2AMEN1RAB9ANPC1ALDH1A1

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-0934301-B1 AMINOTHIOPHENE CARBOXYLIC ACID AMIDES AND THE USE THEREOF AS PHOSPHODIESTERASE INHIBITORS MERCK PATENT GMBH (DE) 2001-06-20 EP claimed
US-6143777-A ENZYME INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-11-07 US claimed
US-6143777-A ENZYME INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-11-07 US disclosed