SCHEMBL11637459

SCHEMBL11637459

Cc1cc(=O)c2cc(CC#N)ccc2o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.47
POLB P06746 4/20 0.40
MAPT P10636 4/20 0.40
KDM4E B2RXH2 4/20 0.40
CYP1A2 P05177 3/20 0.40
TP53 P04637 3/20 0.40
HSD17B10 Q99714 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
ALOX15 P16050 1/20 0.40
RECQL P46063 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
THRB P10828 1/20 0.39
CYP1A1 P04798 2/20 0.39
CYP1B1 Q16678 2/20 0.39
ALDH1A1 P00352 3/20 0.38
CYP3A4 P08684 2/20 0.38
HPGD P15428 2/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL11637081 0.81 CSNK2A2 (0.60) MAPTKDM4ETP53HSD17B10SMN1; SMN2
SCHEMBL11640026 0.80 ACHE (0.50) ACHEPOLBMAPTKDM4ECYP1A2
SCHEMBL9798421 0.78 DYRK1A (0.42) MAPTKDM4ETP53LMNAALDH1A1
SCHEMBL11633450 0.76 ACHE (0.50) ACHEPOLBMAPTKDM4ECYP1A2
SCHEMBL11637174 0.75 GABRP (0.66) MAPTTP53SMN1; SMN2LMNAALOX15
SCHEMBL11633630 0.75 TNKS (0.57) MAPTKDM4ETP53SMN1; SMN2LMNA
SCHEMBL11637749 0.75 KDM4E (0.65) POLBMAPTKDM4ECYP1A2TP53
SCHEMBL11634284 0.74 GABRP (0.50) POLBMAPTKDM4ECYP1A2SMN1; SMN2
SCHEMBL11636746 0.73 ALDH1A1 (0.62) POLBMAPTKDM4ECYP1A2TP53
SCHEMBL11639561 0.73 PTPRS (0.48) MAPTKDM4ETP53HSD17B10SMN1; 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-4122200-A 6',2-(2'Arylchromonyl) propionic acids, and analgesic and anti-inflammatory derivatives thereof LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1978-10-24 US disclosed
US-4097582-A 6',2-(2'-Arylchromonyl) propionic acids, and analgesic and anti-inflammatory derivatives thereof LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1978-06-27 US disclosed