SCHEMBL7888490

SCHEMBL7888490

Cc1cc(C(=O)NCCc2ccccc2)c(NC(=O)c2ccc(C(=O)O)cc2)s1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.54
NPC1 O15118 11/20 0.54
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
MAPT P10636 4/20 0.47
NPSR1 Q6W5P4 2/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
PTPN5 P54829 1/20 0.45
MLYCD O95822 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
SCHEMBL8207961 0.90 MGLL (0.53) RAB9ANPC1HDAC2HDAC8HDAC6
SCHEMBL7888341 0.88 NR1H4 (0.50) RAB9ANPC1HDAC2HDAC8HDAC6
SCHEMBL7888439 0.87 GRIN2C (0.57) RAB9ANPC1HDAC2HDAC8HDAC6
SCHEMBL7888363 0.86 RAB9A (0.51) RAB9ANPC1HDAC2HDAC8HDAC6
SCHEMBL8210714 0.79 KDM4E (0.51) MAPTALDH1A1LMNAHPGDHTT
SCHEMBL7888441 0.79 PTGER4 (0.53) LMNA
SCHEMBL7890928 0.78 NPC1 (0.47) RAB9ANPC1MAPTHTTCNR1
SCHEMBL8199930 0.78 MGLL (0.52) RAB9ANPC1HDAC2HDAC8HDAC6
Bicarbonate SCHEMBL7890931 0.78 SMN1; SMN2 (0.51) RAB9ANPC1ALDH1A1LMNAHPGD
SCHEMBL8208065 0.78 MAPT (0.53) RAB9ANPC1MAPTNPSR1ALDH1A1

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