SCHEMBL9541467

SCHEMBL9541467

O=C1CC(c2c(O)cccc2O)=NN1c1nc2ccccc2s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.60
▸ LMNA P02545 4/20 0.60
▸ MEN1 O00255 2/20 0.60
▸ POLB P06746 2/20 0.60
▸ KMT2A Q03164 2/20 0.60
▸ GAA P10253 2/20 0.60
▸ CYP1A2 P05177 1/20 0.58
▸ CYP2D6 P10635 1/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ RAB9A P51151 8/20 0.43
▸ NPC1 O15118 7/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ HSP90AA1 P07900 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ HPGD P15428 1/20 0.41
▸ KAT2A Q92830 1/20 0.40

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
SCHEMBL9538451 0.88 MAPT (0.60) MAPTLMNAMEN1POLBKMT2A
SCHEMBL9537650 0.80 MAPT (0.54) MAPTLMNAMEN1POLBKMT2A
SCHEMBL186009 0.77 MEN1 (0.61) MAPTLMNAMEN1POLBKMT2A
SCHEMBL9379932 0.76 MEN1 (0.64) MAPTLMNAMEN1POLBKMT2A
SCHEMBL32690204 0.73 CYP1A2 (1.00) MAPTLMNAMEN1POLBKMT2A
SCHEMBL12297633 0.73 MAPT (0.58) MAPTLMNAMEN1POLBKMT2A
SCHEMBL3529132 0.73 CYP1A2 (0.55) MAPTLMNAMEN1POLBKMT2A
SCHEMBL9535942 0.69 MAPT (0.54) MAPTLMNAMEN1POLBKMT2A
SCHEMBL30471852 0.66 RAB9A (0.63) MAPTLMNAMEN1POLBKMT2A
SCHEMBL7191952 0.66 RAB9A (0.63) MAPTLMNAMEN1POLBKMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993003036-A1 BENZOPYRANO[4,3-c]PYRAZOLES, THEIR PREPARATION AND THEIR USE AS IMMUNOMODULATORS THE BOOTS COMPANY PLC (GB) 1993-02-18 — — WO disclosed
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