SCHEMBL10992998

SCHEMBL10992998

CCc1ccc2oc3nc(C(C)C(=O)O)c(C(=O)OC)cc3c(=O)c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 11/20 0.58
▸ NPC1 O15118 10/20 0.58
▸ RXFP1 Q9HBX9 3/20 0.58
▸ KMT2A Q03164 6/20 0.55
▸ TBK1 Q9UHD2 8/20 0.52
▸ MEN1 O00255 4/20 0.52
▸ IKBKE Q14164 3/20 0.52
▸ KDM4E B2RXH2 2/20 0.45
▸ PKM P14618 2/20 0.45
▸ ABCC4 O15439 1/20 0.45
▸ TTR P02766 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ ADRA1A P35348 1/20 0.45
▸ OPRD1 P41143 1/20 0.45
▸ PDE4D Q08499 1/20 0.45
▸ PDE3A Q14432 1/20 0.45
▸ GPR35 Q9HC97 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44

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 0.88 NPC1 (0.54) RAB9ANPC1RXFP1KMT2ATBK1
SCHEMBL10992854 0.87 NPC1 (0.52) RAB9ANPC1RXFP1KMT2ATBK1
SCHEMBL10990089 0.87 TBK1 (0.61) RAB9ANPC1RXFP1KMT2ATBK1
SCHEMBL10995250 0.87 NPC1 (0.59) RAB9ANPC1RXFP1KMT2ATBK1
SCHEMBL10998062 0.85 RAB9A (0.69) RAB9ANPC1RXFP1KMT2ATBK1
SCHEMBL10994012 0.85 NPC1 (0.50) RAB9ANPC1RXFP1KMT2ATBK1
SCHEMBL11100651 0.82 RAB9A (0.69) RAB9ANPC1RXFP1KMT2ATBK1
SCHEMBL10991723 0.80 RAB9A (0.58) RAB9ANPC1RXFP1KMT2ATBK1
SCHEMBL11102499 0.79 RAB9A (0.72) RAB9ANPC1RXFP1KMT2ATBK1
SCHEMBL10995021 0.76 RAB9A (0.45) RAB9ANPC1RXFP1KMT2ATBK1

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 5 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
JP-59216888-A — — None — — JP disclosed
US-4539326-A REACTION OF KETOBENZOPYRAN CARBONITRILE AND KETODICARBOXYLIC ESTER TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-09-03 — — US disclosed
JP-S59216888-A 5-OXO-5H-(1)BENZOPYRANO(2,3-B)PYRIDINE DERIVATIVE, ITS PREPARATION AND MEDICINAL COMPOSITION TAKEDA CHEM IND LTD 1984-12-06 — — JP disclosed
Send feedback