SCHEMBL9802479

SCHEMBL9802479

CCc1cc(=O)[nH]c2c1C(=O)CCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.41
BRD4 O60885 8/20 0.39
TSHR P16473 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
DYRK1A Q13627 1/20 0.39
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
ALOX15 P16050 2/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL9802765 0.79 PTK2 (0.47) PTK2BRD4TSHRL3MBTL1DYRK1A
SCHEMBL23537851 0.71 AR (0.40) PTK2DYRK1AALDH1A1MAPTHSD17B10
SCHEMBL15592920 0.70 PTK2 (0.54) PTK2BRD4TSHRL3MBTL1DYRK1A
SCHEMBL6907631 0.70 PTK2 (0.46) PTK2BRD4TSHRL3MBTL1LMNA
SCHEMBL9803050 0.70 L3MBTL1 (0.48) PTK2BRD4TSHRL3MBTL1DYRK1A
SCHEMBL19429469 0.69 PKN1 (0.45) PTK2BRD4GRIN2DGRIN3BGRIN1
Pyrrole SCHEMBL9107990 0.67 KCNA5 (0.45) PTK2BRD4TSHRL3MBTL1DYRK1A
SCHEMBL8525719 0.66 PTK2 (0.65) PTK2BRD4TSHRL3MBTL1ALOX15
SCHEMBL9802626 0.66 ALDH1A1 (0.46) TSHRALDH1A1POLBMAPK1LMNA
SCHEMBL934852 0.64 PTK2 (0.61) PTK2BRD4TSHRL3MBTL1DYRK1A

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