SCHEMBL10565491

SCHEMBL10565491

Cc1cc(NCCOC(=O)c2ccccc2)c2[nH]ncc2n1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NCF1 P14598 2/20 0.45
▸ SLC2A1 P11166 2/20 0.41
▸ CYP2C19 P33261 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ PKM P14618 3/20 0.40
▸ GAA P10253 1/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ BRD4 O60885 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ OPRK1 P41145 1/20 0.37

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
SCHEMBL10567628 0.79 SLC2A1 (0.39) NCF1SLC2A1KDM4ELMNAMAPT
SCHEMBL10567586 0.78 NQO2 (0.41) NCF1SLC2A1CYP2C19KDM4EMEN1
SCHEMBL10506904 0.78 NCF1 (0.56) NCF1SLC2A1CYP2C19KDM4EGAA
SCHEMBL10840990 0.76 SLC2A1 (0.58) SLC2A1KDM4EMEN1KMT2AMAPT
SCHEMBL10507503 0.75 CYP2C19 (0.52) NCF1SLC2A1CYP2C19KDM4EPKM
SCHEMBL10805500 0.74 SLC2A1 (0.49) SLC2A1CYP2C19KDM4EMEN1KMT2A
SCHEMBL10507638 0.73 SLC2A1 (0.47) NCF1SLC2A1CYP2C19KDM4EPKM
SCHEMBL10801118 0.71 SLC2A1 (0.48) NCF1SLC2A1CYP2C19LMNAMAPK1
SCHEMBL10568468 0.71 SLC2A1 (0.41) SLC2A1CYP2C19KDM4EGAAKMT2A
SCHEMBL27368257 0.71 LMNA (0.54) PKMGAAKMT2ALMNAPOLB

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-4818754-A ANTIALLERGENS BEECHAM GROUP P.L.C. OF BEECHAM HOUSE (GB) 1989-04-04 — — US claimed
US-4818754-A ANTIALLERGENS BEECHAM GROUP P.L.C. OF BEECHAM HOUSE (GB) 1989-04-04 — — US disclosed
EP-0243055-A2 Pyrazolopyridine derivatives, process for their preparation, and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1987-10-28 — — EP disclosed
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