SCHEMBL10991497

SCHEMBL10991497

CCOC(=O)c1cc2c(=O)c3cc([N+](=O)[O-])ccc3oc2nc1C(CC)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 8/20 0.54
▸ NPC1 O15118 7/20 0.54
▸ RXFP1 Q9HBX9 2/20 0.54
▸ TBK1 Q9UHD2 5/20 0.47
▸ ALDH1A1 P00352 4/20 0.42
▸ KDM4E B2RXH2 4/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ PKM P14618 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ KMT2A Q03164 5/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ MAPT P10636 3/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ GAA P10253 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ IKBKE Q14164 1/20 0.39
▸ GLA P06280 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
SCHEMBL10991498 1.00 RAB9A (0.54) RAB9ANPC1RXFP1TBK1ALDH1A1
SCHEMBL10991723 0.86 RAB9A (0.58) RAB9ANPC1RXFP1TBK1ALDH1A1
SCHEMBL10994956 0.85 RAB9A (0.58) RAB9ANPC1RXFP1TBK1ALDH1A1
SCHEMBL10991490 0.85 RAB9A (0.56) RAB9ANPC1RXFP1TBK1ALDH1A1
SCHEMBL10995204 0.84 RAB9A (0.56) RAB9ANPC1RXFP1TBK1ALDH1A1
SCHEMBL11370496 0.74 RAB9A (0.53) RAB9ANPC1RXFP1ALDH1A1KDM4E
SCHEMBL11102499 0.74 RAB9A (0.72) RAB9ANPC1RXFP1TBK1ALDH1A1
SCHEMBL9204045 0.70 RAB9A (0.65) RAB9ANPC1RXFP1TBK1ALDH1A1
SCHEMBL10993477 0.70 RAB9A (0.56) RAB9ANPC1RXFP1TBK1ALDH1A1
SCHEMBL9208121 0.70 RAB9A (0.81) RAB9ANPC1RXFP1TBK1ALDH1A1

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 claimed
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 claimed
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