SCHEMBL8394358

SCHEMBL8394358

COC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 1.00
HSD17B10 Q99714 3/20 1.00
MAPT P10636 12/20 0.75
TSHR P16473 4/20 0.71
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
SMN1; SMN2 Q16637 3/20 0.61
HTT P42858 1/20 0.61
HPGD P15428 3/20 0.61
RECQL P46063 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
KDM4E B2RXH2 4/20 0.60
CYP1A2 P05177 2/20 0.60
CYP3A4 P08684 2/20 0.60
CYP2C9 P11712 2/20 0.60
CYP2C19 P33261 2/20 0.60
GLA P06280 1/20 0.59
LMNA P02545 1/20 0.57
POLB P06746 1/20 0.56
PKM P14618 1/20 0.56

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
SCHEMBL8380783 0.93 ALDH1A1 (0.86) ALDH1A1HSD17B10MAPTTSHRMEN1
SCHEMBL31567888 0.90 ALDH1A1 (0.81) ALDH1A1HSD17B10MAPTTSHRMEN1
SCHEMBL18230644 0.89 ALDH1A1 (0.80) ALDH1A1HSD17B10MAPTTSHRMEN1
SCHEMBL31567862 0.89 ALDH1A1 (0.80) ALDH1A1HSD17B10MAPTTSHRMEN1
SCHEMBL28606867 0.88 ALDH1A1 (1.00) ALDH1A1HSD17B10MAPTTSHRMEN1
SCHEMBL31567857 0.88 ALDH1A1 (0.78) ALDH1A1HSD17B10MAPTTSHRMEN1
SCHEMBL8381158 0.88 ALDH1A1 (0.78) ALDH1A1HSD17B10MAPTTSHRMEN1
SCHEMBL8380625 0.88 ALDH1A1 (0.78) ALDH1A1HSD17B10MAPTTSHRMEN1
SCHEMBL31567873 0.88 ALDH1A1 (0.78) ALDH1A1HSD17B10MAPTTSHRMEN1
SCHEMBL31567878 0.85 ALDH1A1 (0.74) 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 4 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
CN-119874654-A Pyran compound as plant immune activator and application thereof 华东理工大学 2025-04-25 CN disclosed
EP-0915853-A1 SUBSTITUTED 3-PHENYL PYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 1999-05-19 EP disclosed
WO-1998005649-A1 SUBSTITUTED 3-PHENYL PYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 1998-02-12 WO disclosed