SCHEMBL9803050

SCHEMBL9803050

O=C1CCCc2[nH]c(=O)cc(-c3ccccc3)c21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.48
KMT2A Q03164 2/20 0.48
HTT P42858 3/20 0.47
MAPK1 P28482 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 1/20 0.47
ALDH1A1 P00352 2/20 0.47
ALOX15 P16050 2/20 0.47
BRD4 O60885 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
HSD17B10 Q99714 1/20 0.47
BUB1 O43683 7/20 0.44
DYRK1A Q13627 1/20 0.43
PTK2 Q05397 1/20 0.43
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
NPC1 O15118 1/20 0.41

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
SCHEMBL7323294 0.78 ALDH1A1 (0.62) L3MBTL1KMT2AHTTMAPK1SMN1; SMN2
SCHEMBL11265654 0.74 BRD4 (0.61) L3MBTL1KMT2AHTTSMN1; SMN2ALOX15
SCHEMBL9802765 0.73 PTK2 (0.47) L3MBTL1MAPK1HPGDALDH1A1ALOX15
SCHEMBL11394395 0.72 PKN2 (0.72) L3MBTL1KMT2AMAPK1HPGDALDH1A1
SCHEMBL4467904 0.72 MAPT (0.49) L3MBTL1KMT2ABRD4MAPTBUB1
SCHEMBL9802479 0.70 PTK2 (0.41) L3MBTL1KMT2AHTTMAPK1SMN1; SMN2
SCHEMBL4417991 0.70 GSK3B (0.46) L3MBTL1KMT2ABRD4BUB1DYRK1A
SCHEMBL28902024 0.70 PDE4B (0.49) L3MBTL1KMT2AHTTHPGDALDH1A1
SCHEMBL9802957 0.70 AKR1B1 (0.44) L3MBTL1KMT2AHTTMAPK1SMN1; SMN2
SCHEMBL23537851 0.69 AR (0.40) KMT2AHPGDALDH1A1MAPTHSD17B10

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-5068334-A Analgesics and antipyretics KARL THOMAE GMBH (DE) 1991-11-26 US disclosed
EP-0338228-A2 Use of quinoline-2,5-diones in a medicament having an analgesic, antipyretic and/or antiphlogistic activity Dr. Karl Thomae GmbH (DE) 1989-10-25 EP disclosed