SCHEMBL6594424

SCHEMBL6594424

C=CNC(=O)c1ccc(C)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.61
ALDH1A1 P00352 5/20 0.59
GAA P10253 1/20 0.59
HDAC1 Q13547 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 4/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HTT P42858 3/20 0.48
LMNA P02545 3/20 0.48
TDP1 Q9NUW8 3/20 0.48
PKM P14618 2/20 0.48
ATM Q13315 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
NLRP1 Q9C000 1/20 0.48
NTSR1 P30989 1/20 0.48
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48

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
SCHEMBL28339402 0.81 HPGD (0.63) HPGDALDH1A1GAAHDAC1HDAC6
SCHEMBL10730953 0.81 HPGD (0.63) HPGDALDH1A1GAAHDAC1HDAC6
SCHEMBL31030711 0.80 HDAC1 (0.60) HPGDALDH1A1HDAC1HDAC6NPC1
SCHEMBL4924405 0.79 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2MEN1KMT2AHTT
SCHEMBL22915186 0.79 MEN1 (0.50) GAANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL28061374 0.79 LMNA (0.53) ALDH1A1HDAC1HDAC6NPC1RAB9A
SCHEMBL31030766 0.79 OGG1 (0.55) ALDH1A1GAAHDAC1NPC1SMN1; SMN2
SCHEMBL16358465 0.79 HPGD (0.61) HPGDALDH1A1GAAHDAC1HDAC6
SCHEMBL29142737 0.79 ALDH1A1 (0.63) ALDH1A1GAANPC1RAB9ASMN1; SMN2
SCHEMBL497521 0.78 NPC1 (0.57) HPGDALDH1A1GAAHDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118653158-A Synthesis and application of 4-oxo-oxazoline compound 西北师范大学 2024-09-17 CN disclosed
CN-118621328-A Synthesis and application of 4-heterocyclic amine substituted oxazoline compound 西北师范大学 2024-09-10 CN disclosed
EP-0990667-B1 Porous copolymer particles, process for preparing the same and use of the same SHOWA DENKO KK (JP) 2004-05-12 EP disclosed
US-6362245-B1 USING N-VINYLCARBOXYLIC AMIDE SHOWA DENKO KABUSHIKI KAISHA (JP) 2002-03-26 US disclosed
EP-0990667-A2 Porous copolymer particles, process for preparing the same and use of the same SHOWA DENKO KABUSHIKI KAISHA (JP) 2000-04-05 EP disclosed