SCHEMBL10987502

SCHEMBL10987502

CCOC(=O)CCc1nc2oc3ccc(CC)cc3c(=O)c2cc1C(=O)OCC

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 8/20 0.60
▸ RAB9A P51151 9/20 0.59
▸ NPC1 O15118 8/20 0.59
▸ RXFP1 Q9HBX9 3/20 0.59
▸ KMT2A Q03164 3/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ IKBKE Q14164 2/20 0.46
▸ KDM4E B2RXH2 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ PKM P14618 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ POLB P06746 1/20 0.43

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
SCHEMBL10988624 0.89 RAB9A (0.58) TBK1RAB9ANPC1RXFP1KMT2A
SCHEMBL11110654 0.86 RAB9A (0.61) TBK1RAB9ANPC1RXFP1KMT2A
SCHEMBL9208121 0.84 RAB9A (0.81) TBK1RAB9ANPC1RXFP1KMT2A
SCHEMBL9205610 0.83 RAB9A (0.66) TBK1RAB9ANPC1RXFP1KMT2A
SCHEMBL9204045 0.83 RAB9A (0.65) TBK1RAB9ANPC1RXFP1KMT2A
SCHEMBL10993477 0.82 RAB9A (0.56) TBK1RAB9ANPC1RXFP1KMT2A
SCHEMBL10995861 0.82 TBK1 (0.56) TBK1RAB9ANPC1RXFP1KMT2A
SCHEMBL11102495 0.80 RAB9A (0.72) TBK1RAB9ANPC1RXFP1KMT2A
SCHEMBL19196856 0.78 TBK1 (0.82) TBK1RAB9ANPC1RXFP1IKBKE
SCHEMBL10991723 0.78 RAB9A (0.58) TBK1RAB9ANPC1RXFP1KMT2A

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-4539326-A REACTION OF KETOBENZOPYRAN CARBONITRILE AND KETODICARBOXYLIC ESTER TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-09-03 — — US disclosed
EP-0102175-A1 5-Oxo-5H-(1)benzopyrano(2,3-b)pyridine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1984-03-07 — — EP disclosed
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