SCHEMBL10992854

SCHEMBL10992854

COC(=O)c1cc2c(=O)c3cc(OC)ccc3oc2nc1C(C)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 12/20 0.52
▸ RAB9A P51151 12/20 0.52
▸ RXFP1 Q9HBX9 3/20 0.52
▸ KMT2A Q03164 6/20 0.51
▸ MEN1 O00255 4/20 0.51
▸ KDM4E B2RXH2 5/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ HPGD P15428 3/20 0.48
▸ MAPT P10636 2/20 0.48
▸ CASP3 P42574 1/20 0.48
▸ SENP8 Q96LD8 1/20 0.48
▸ SENP7 Q9BQF6 1/20 0.48
▸ SENP6 Q9GZR1 1/20 0.48
▸ TBK1 Q9UHD2 5/20 0.46
▸ IKBKE Q14164 4/20 0.46
▸ PKM P14618 2/20 0.46
▸ ABCC4 O15439 1/20 0.46
▸ TTR P02766 1/20 0.46
▸ GAA P10253 1/20 0.46

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
SCHEMBL10989695 0.89 NPC1 (0.54) NPC1RAB9ARXFP1KMT2AMEN1
SCHEMBL10995250 0.88 NPC1 (0.59) NPC1RAB9ARXFP1KMT2AMEN1
SCHEMBL10990089 0.88 TBK1 (0.61) NPC1RAB9ARXFP1KMT2AMEN1
SCHEMBL10992998 0.87 RAB9A (0.58) NPC1RAB9ARXFP1KMT2AMEN1
SCHEMBL10998062 0.86 RAB9A (0.69) NPC1RAB9ARXFP1KMT2AMEN1
SCHEMBL10994012 0.86 NPC1 (0.50) NPC1RAB9ARXFP1KMT2AMEN1
SCHEMBL11107003 0.80 RAB9A (0.63) NPC1RAB9ARXFP1KMT2AMEN1
SCHEMBL10995021 0.76 RAB9A (0.45) NPC1RAB9ARXFP1KMT2AMEN1
SCHEMBL11102499 0.76 RAB9A (0.72) NPC1RAB9ARXFP1KMT2AMEN1
SCHEMBL11108669 0.74 NPC1 (0.53) NPC1RAB9ARXFP1KMT2AMEN1

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 3 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
US-4539326-A REACTION OF KETOBENZOPYRAN CARBONITRILE AND KETODICARBOXYLIC ESTER TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-09-03 — — US disclosed
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