SCHEMBL7988458

SCHEMBL7988458

CCOC(=O)c1nc(-c2cccc3ccccc23)n(C)c1-c1ccc(C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 2/20 0.49
GABRB2 P47870 2/20 0.49
GABRG2 P18507 1/20 0.49
GABRB3 P28472 1/20 0.49
GABRA5 P31644 1/20 0.49
ALDH1A1 P00352 2/20 0.48
HSD17B10 Q99714 1/20 0.48
CYP19A1 P11511 1/20 0.47
ELANE P08246 2/20 0.45
KDM4E B2RXH2 3/20 0.45
MAPK1 P28482 2/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TARBP2 Q15633 1/20 0.44
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
CDC25B P30305 2/20 0.43
CDC25A P30304 1/20 0.43
CDC25C P30307 1/20 0.43
CYP1A2 P05177 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
SCHEMBL7987898 0.84 CYP19A1 (0.56) GABRA2GABRB2GABRG2GABRB3GABRA5
SCHEMBL7989910 0.82 RAB9A (0.49) GABRA2GABRB2GABRG2GABRB3GABRA5
SCHEMBL7989365 0.82 MEN1 (0.52) GABRA2GABRB2GABRG2GABRB3GABRA5
SCHEMBL6274152 0.79 GABRA2 (0.59) GABRA2GABRB2ALDH1A1HSD17B10CYP19A1
SCHEMBL7989585 0.76 TARBP2 (0.46) GABRA2GABRB2GABRG2GABRB3GABRA5
SCHEMBL3400011 0.75 ALDH1A1 (0.50) ALDH1A1HSD17B10ELANEKDM4EMAPK1
SCHEMBL7989677 0.74 SMN1; SMN2 (0.49) ALDH1A1KDM4EMAPK1KMT2AL3MBTL1
SCHEMBL8823098 0.72 GABRA2 (0.51) GABRA2GABRB2ALDH1A1CYP19A1KDM4E
SCHEMBL13247931 0.72 HDAC8 (0.56) KDM4EKMT2ACDC25BCDC25ACDC25C
SCHEMBL5548693 0.71 ALDH1A1 (0.46) ALDH1A1HSD17B10ELANEKDM4EMAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6288061-B1 INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS WELFIDE CORPORATION (JP) 2001-09-11 US disclosed