SCHEMBL8380783

SCHEMBL8380783

COC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccc(-c2ccccc2)cc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.86
HSD17B10 Q99714 2/20 0.86
MAPT P10636 12/20 0.66
TSHR P16473 2/20 0.65
MEN1 O00255 5/20 0.64
KMT2A Q03164 5/20 0.64
HTT P42858 2/20 0.58
LMNA P02545 2/20 0.58
POLB P06746 2/20 0.58
PKM P14618 1/20 0.58
HPGD P15428 3/20 0.57
RECQL P46063 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
TDP1 Q9NUW8 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
KDM4E B2RXH2 3/20 0.56
GLA P06280 1/20 0.55

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
SCHEMBL8394358 0.93 ALDH1A1 (1.00) ALDH1A1HSD17B10MAPTTSHRMEN1
SCHEMBL31567888 0.88 ALDH1A1 (0.81) ALDH1A1HSD17B10MAPTTSHRMEN1
SCHEMBL18230644 0.87 ALDH1A1 (0.80) ALDH1A1HSD17B10MAPTTSHRMEN1
SCHEMBL31567862 0.87 ALDH1A1 (0.80) ALDH1A1HSD17B10MAPTTSHRMEN1
SCHEMBL31567873 0.86 ALDH1A1 (0.78) ALDH1A1HSD17B10MAPTTSHRMEN1
SCHEMBL8381158 0.86 ALDH1A1 (0.78) ALDH1A1HSD17B10MAPTTSHRMEN1
SCHEMBL8380625 0.86 ALDH1A1 (0.78) ALDH1A1HSD17B10MAPTTSHRMEN1
SCHEMBL31567857 0.86 ALDH1A1 (0.78) ALDH1A1HSD17B10MAPTTSHRMEN1
SCHEMBL31567878 0.84 ALDH1A1 (0.74) ALDH1A1HSD17B10MAPTTSHRMEN1
SCHEMBL8393774 0.83 ALDH1A1 (0.60) ALDH1A1HSD17B10MAPTTSHRMEN1

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
EP-0777663-B1 USE OF SUBSTITUTED 6-AMINO-4H-PYRANS BAYER AG (DE) 1999-05-26 EP claimed
US-5874462-A Use of substituted 6-amino-4H-pyrans BAYER AKTIENGESELLSCHAFT (DE) 1999-02-23 US claimed