SCHEMBL27709603

SCHEMBL27709603

CC(C)(C)NC(N)=NC(=O)/C=C/c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.60
▸ NPC1 O15118 3/20 0.49
▸ TSHR P16473 1/20 0.49
▸ TDP1 Q9NUW8 2/20 0.45
▸ GLA P06280 1/20 0.45
▸ HTT P42858 1/20 0.44
▸ HDAC3 O15379 2/20 0.44
▸ HDAC4 P56524 2/20 0.44
▸ HDAC1 Q13547 2/20 0.44
▸ HDAC2 Q92769 2/20 0.44
▸ HDAC8 Q9BY41 2/20 0.44
▸ HDAC6 Q9UBN7 2/20 0.44
▸ MAPT P10636 4/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ TNKS O95271 1/20 0.43
▸ HCAR2 Q8TDS4 1/20 0.43
▸ HDAC7 Q8WUI4 1/20 0.43
▸ HDAC10 Q969S8 1/20 0.43
▸ HDAC11 Q96DB2 1/20 0.43

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
SCHEMBL27709606 0.85 HTT (0.48) EGFRNPC1TSHRTDP1GLA
SCHEMBL27689875 0.83 TDP1 (0.49) EGFRNPC1TSHRTDP1GLA
SCHEMBL27709705 0.79 TDP1 (0.52) EGFRNPC1TSHRTDP1GLA
SCHEMBL27689878 0.79 MMP1 (0.58) EGFRTDP1HTTHDAC3HDAC4
SCHEMBL27689932 0.79 HTT (0.62) EGFRNPC1TDP1HTTHDAC3
SCHEMBL1949536 0.77 MAPT (0.55) EGFRNPC1TSHRTDP1GLA
SCHEMBL27709611 0.77 HTT (0.46) EGFRNPC1TSHRTDP1GLA
SCHEMBL3118443 0.77 CYP1A2 (0.62) EGFRNPC1TDP1HTTHDAC3
SCHEMBL14504234 0.77 CYP1A2 (0.62) EGFRNPC1TDP1HTTHDAC3
Hydrochloric Acid SCHEMBL5427451 0.76 HTR2B (0.56) EGFRNPC1TSHRTDP1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101111475-A Antiviral compounds and methods BIOTRON LTD (AU) 2008-01-23 — — CN claimed
CN-101111475-A Antiviral compounds and methods BIOTRON LTD (AU) 2008-01-23 — — CN disclosed
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