SCHEMBL14951815

SCHEMBL14951815

c1ccc2c(c1)ccc1[nH]c3c4ccccc4c4oc5ccccc5c4c3c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ KIF11 P52732 1/20 0.41
▸ GABRP O00591 1/20 0.41
▸ GABRD O14764 1/20 0.41
▸ GABRA1 P14867 1/20 0.41
▸ GABRB1 P18505 1/20 0.41
▸ GABRG2 P18507 1/20 0.41
▸ GABRB3 P28472 1/20 0.41
▸ GABRA5 P31644 1/20 0.41
▸ GABRA3 P34903 1/20 0.41
▸ GABRA2 P47869 1/20 0.41
▸ GABRB2 P47870 1/20 0.41
▸ GABRA4 P48169 1/20 0.41
▸ GABRE P78334 1/20 0.41
▸ GABRA6 Q16445 1/20 0.41
▸ GABRG1 Q8N1C3 1/20 0.41
▸ GABRG3 Q99928 1/20 0.41
▸ GABRQ Q9UN88 1/20 0.41
▸ JAK2 O60674 1/20 0.39

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
SCHEMBL14951798 0.89 TDP1 (0.44) TDP1L3MBTL1KIF11GABRPGABRD
SCHEMBL19786350 0.86 KIF11 (0.45) TDP1L3MBTL1KIF11GABRPGABRD
SCHEMBL17533324 0.84 TDP1 (0.45) TDP1L3MBTL1KIF11GABRPGABRD
SCHEMBL14951860 0.84 L3MBTL1 (0.47) TDP1L3MBTL1KIF11GABRPGABRD
SCHEMBL16482722 0.82 TDP1 (0.45) TDP1L3MBTL1KIF11GABRPGABRD
SCHEMBL19382765 0.81 TDP1 (0.45) TDP1L3MBTL1KIF11GABRPGABRD
SCHEMBL16049927 0.80 MAP3K11 (0.51) L3MBTL1KIF11GABRPGABRDGABRA1
SCHEMBL14951816 0.79 KDM4E (0.41) L3MBTL1JAK2ZAP70SYKMAP3K11
SCHEMBL14951209 0.78 GABRP (0.47) L3MBTL1KIF11GABRPGABRDGABRA1
SCHEMBL14951814 0.77 L3MBTL1 (0.50) TDP1L3MBTL1CDK4CCND1MCL1

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
WO-2013069939-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT INCLUDING THE SAME, ELECTRONIC DEVICE THEREOF 덕산하이메탈(주) (KR) 2013-05-16 — — WO disclosed
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