SCHEMBL9538451

SCHEMBL9538451

O=C1CC(c2ccccc2O)=NN1c1nc2ccccc2s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.60
▸ MEN1 O00255 3/20 0.60
▸ KMT2A Q03164 3/20 0.60
▸ POLB P06746 2/20 0.60
▸ LMNA P02545 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
▸ MAOB P27338 3/20 0.48
▸ RAB9A P51151 5/20 0.43
▸ NPC1 O15118 3/20 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
▸ ALOX15 P16050 1/20 0.42

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
SCHEMBL9541467 0.88 MAPT (0.60) MAPTMEN1KMT2APOLBLMNA
SCHEMBL9537650 0.87 MAPT (0.54) MAPTMEN1KMT2APOLBLMNA
SCHEMBL186009 0.77 MEN1 (0.61) MAPTMEN1KMT2APOLBLMNA
SCHEMBL9379932 0.76 MEN1 (0.64) MAPTMEN1KMT2APOLBLMNA
SCHEMBL10382659 0.74 MAOB (0.64) MAPTMEN1KMT2APOLBGAA
SCHEMBL32690204 0.73 CYP1A2 (1.00) MAPTMEN1KMT2APOLBLMNA
SCHEMBL3529132 0.73 CYP1A2 (0.55) MAPTMEN1KMT2APOLBLMNA
SCHEMBL12297633 0.73 MAPT (0.58) MAPTMEN1KMT2APOLBLMNA
SCHEMBL9538966 0.73 MEN1 (0.48) MAPTMEN1KMT2APOLBLMNA
SCHEMBL9536658 0.71 MAOB (0.64) MAPTMEN1KMT2AGAACYP1A2

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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