SCHEMBL16482722

SCHEMBL16482722

c1ccc2c(c1)ccc1[nH]c3c4ccccc4oc3c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ MAP3K11 Q16584 3/20 0.44
▸ MAP3K9 P80192 2/20 0.44
▸ ERCC5 P28715 1/20 0.43
▸ FEN1 P39748 1/20 0.43
▸ KIF11 P52732 1/20 0.42
▸ MCL1 Q07820 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ PPARG P37231 3/20 0.40
▸ RXFP1 Q9HBX9 3/20 0.40
▸ NR2E3 Q9Y5X4 3/20 0.40
▸ NCOR2 Q9Y618 3/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SIRT2 Q8IXJ6 1/20 0.40
▸ SIRT1 Q96EB6 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ GAA P10253 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
SCHEMBL17533324 0.86 TDP1 (0.45) TDP1L3MBTL1MAP3K11MAP3K9ERCC5
SCHEMBL19382765 0.86 TDP1 (0.45) TDP1L3MBTL1MAP3K11MAP3K9ERCC5
SCHEMBL16482685 0.84 CDK4 (0.47) TDP1KIF11MCL1KDM4ERAB9A
SCHEMBL14951815 0.82 TDP1 (0.44) TDP1L3MBTL1MAP3K11MAP3K9ERCC5
SCHEMBL14951798 0.82 TDP1 (0.44) TDP1L3MBTL1MAP3K11MAP3K9ERCC5
SCHEMBL16482705 0.81 KIF11 (0.46) TDP1L3MBTL1MAP3K11MAP3K9KIF11
SCHEMBL14951860 0.79 L3MBTL1 (0.47) TDP1L3MBTL1MAP3K11MAP3K9KIF11
SCHEMBL18593683 0.79 AHR (0.49) TDP1L3MBTL1MAP3K11MAP3K9KIF11
SCHEMBL16482648 0.77 KIF11 (0.49) TDP1L3MBTL1ERCC5FEN1KIF11
SCHEMBL17858218 0.75 TDP1 (0.53) TDP1L3MBTL1MCL1ALDH1A1KDM4E

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-2014058183-A1 COMPOUND FOR ORGANIC ELECTRONIC DEVICE, ORGANIC ELECTRONIC DEVICE USING SAME, AND ELECTRONIC APPARATUS OF SAID ORGANIC ELECTRONIC DEVICE 덕산하이메탈(주) (KR) 2014-04-17 — — WO disclosed
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